| Drug Name |
ZINC584606052
|
| Synonyms |
SCHEMBL17492363; YDADFGXXCHDXFC-UHFFFAOYSA-N; US10077269, Example 5; BDBM285532; ZINC584606052; 3-(6-cyanopyridin-3-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide; 3-(6-Cyanopyridin-3-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide (5)
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
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3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
304.31 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.1 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C16H12N6O
- IUPAC Name
3-(6-cyanopyridin-3-yl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide - Canonical SMILES
-
C1CC1NC(=O)C2=C(N3C(=N2)C=CC=N3)C4=CN=C(C=C4)C#N
- InChI
-
InChI=1S/C16H12N6O/c17-8-12-4-3-10(9-18-12)15-14(16(23)20-11-5-6-11)21-13-2-1-7-19-22(13)15/h1-4,7,9,11H,5-6H2,(H,20,23)
- InChIKey
-
YDADFGXXCHDXFC-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 118863059
- TTD ID
- D04VJX
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