Drug Name |
US10034861, Example 1
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Synonyms |
SCHEMBL19762512; US10034861, Example 1; BDBM278971; 5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[4,3-b]pyridin-7-amine |
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) |
407.5 |
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Logarithm of the Partition Coefficient (xlogp) |
2.7 |
Rotatable Bond Count (rotbonds) |
7 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
8 |
Chemical Identifiers |
- Formula
- C21H25N7O2
- IUPAC Name
5-(2-ethoxypyridin-3-yl)-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
- Canonical SMILES
-
CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)NCC4=NN=C(O4)C)N(N=C3C)C(C)C
- InChI
-
InChI=1S/C21H25N7O2/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-26-25-14(5)30-18)20-19(24-16)13(4)27-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
- InChIKey
-
XEBJMVLHZBRKST-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 132273299
- TTD ID
- D0V8ZY
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