| Drug Name |
Imidazo[1,2-b]pyridazine derivative 7
|
| Synonyms |
PMID28270010-Compound-Figure8-4 |
| 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): 1 |
Molecular Weight (mw) |
512.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.1 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C24H22F2N6O3S
- IUPAC Name
N-[6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(methanesulfonamido)benzamide - Canonical SMILES
-
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CN=C3N2N=C(C=C3)N4CCC[C@@H]4C5=C(C=CC(=C5)F)F
- InChI
-
InChI=1S/C24H22F2N6O3S/c1-36(34,35)30-17-7-4-15(5-8-17)24(33)28-23-14-27-21-10-11-22(29-32(21)23)31-12-2-3-20(31)18-13-16(25)6-9-19(18)26/h4-11,13-14,20,30H,2-3,12H2,1H3,(H,28,33)/t20-/m1/s1
- InChIKey
-
CDMQMPKUGUVGIR-HXUWFJFHSA-N
|
| Cross-matching ID |
- PubChem CID
- 46182706
- TTD ID
- D04QHI
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