| Drug Name |
Unii-R228S06soh
|
| Synonyms |
UNII-R228S06SOH; R228S06SOH; AB-22; 1463913-43-0; SCHEMBL15295885; SB19630; N-(2-Chloro-6-propoxypyridin-4-yl)-2-(2-hydroxyethyl)-2-(4-isopropyl-1,3-dimethyl-1H-pyrazolo(3,4-b)pyridin-6-yl)hydrazinecarboxamide; Hydrazinecarboxamide, N-(2-chloro-6-propoxy-4-pyridinyl)-2-(1,3-dimethyl-4-(1-methylethyl)-1H-pyrazolo(3,4-b)pyridin-6-yl)-2-(2-hydroxyethyl);
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
476 |
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| Logarithm of the Partition Coefficient (xlogp) |
4.1 |
| Rotatable Bond Count (rotbonds) |
9 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C22H30ClN7O3
- IUPAC Name
1-(2-chloro-6-propoxypyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)-(2-hydroxyethyl)amino]urea - Canonical SMILES
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CCCOC1=NC(=CC(=C1)NC(=O)NN(CCO)C2=NC3=C(C(=NN3C)C)C(=C2)C(C)C)Cl
- InChI
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InChI=1S/C22H30ClN7O3/c1-6-9-33-19-11-15(10-17(23)25-19)24-22(32)28-30(7-8-31)18-12-16(13(2)3)20-14(4)27-29(5)21(20)26-18/h10-13,31H,6-9H2,1-5H3,(H2,24,25,28,32)
- InChIKey
-
GOQBSVFOBGVWTA-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 81689736
- CAS Number
-
- TTD ID
- D0QU9I
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