N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide

C24H20ClF2N7O — CID 139487336

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
InChIInChI=1S/C24H20ClF2N7O/c25-16-5-6-32-13-29-19(20(32)7-16)8-28-24(35)18-12-34(31-22(18)23(26)27)11-17-10-33-9-15(14-1-2-14)3-4-21(33)30-17/h3-7,9-10,12-14,23H,1-2,8,11H2,(H,28,35)
InChIKeyXWYZQCXTNXOARS-UHFFFAOYSA-N
MW495.92 g/mol
LogP4.63
Rot. Bonds7

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide (PubChem CID 139487336) has the molecular formula C24H20ClF2N7O and a molecular weight of 495.92 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
PubChem CID139487336
Molecular FormulaC24H20ClF2N7O
Molecular Weight495.92 g/mol
Exact Mass495.14
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F
InChIInChI=1S/C24H20ClF2N7O/c25-16-5-6-32-13-29-19(20(32)7-16)8-28-24(35)18-12-34(31-22(18)23(26)27)11-17-10-33-9-15(14-1-2-14)3-4-21(33)30-17/h3-7,9-10,12-14,23H,1-2,8,11H2,(H,28,35)
InChIKeyXWYZQCXTNXOARS-UHFFFAOYSA-N
XLogP4.63
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide (CID 139487336) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C(F)F.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XWYZQCXTNXOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N7O/c25-16-5-6-32-13-29-19(20(32)7-16)8-28-24(35)18-12-34(31-22(18)23(26)27)11-17-10-33-9-15(14-1-2-14)3-4-21(33)30-17/h3-7,9-10,12-14,23H,1-2,8,11H2,(H,28,35).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide has a molecular weight of 495.92 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 139487336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).