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

C24H22ClN7O2 — CID 139487339

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn12
InChIInChI=1S/C24H22ClN7O2/c1-34-24-19(15-2-3-15)4-5-22-29-18(13-32(22)24)12-31-11-16(9-28-31)23(33)26-10-20-21-8-17(25)6-7-30(21)14-27-20/h4-9,11,13-15H,2-3,10,12H2,1H3,(H,26,33)
InChIKeyZJBAISRMJIQURI-UHFFFAOYSA-N
MW475.94 g/mol
LogP3.70
Rot. Bonds7

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

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487339) has the molecular formula C24H22ClN7O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139487339
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn12
InChIInChI=1S/C24H22ClN7O2/c1-34-24-19(15-2-3-15)4-5-22-29-18(13-32(22)24)12-31-11-16(9-28-31)23(33)26-10-20-21-8-17(25)6-7-30(21)14-27-20/h4-9,11,13-15H,2-3,10,12H2,1H3,(H,26,33)
InChIKeyZJBAISRMJIQURI-UHFFFAOYSA-N
XLogP3.70
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487339) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is COc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn12.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZJBAISRMJIQURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c1-34-24-19(15-2-3-15)4-5-22-29-18(13-32(22)24)12-31-11-16(9-28-31)23(33)26-10-20-21-8-17(25)6-7-30(21)14-27-20/h4-9,11,13-15H,2-3,10,12H2,1H3,(H,26,33).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).