N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

C24H22ClN7O2 — CID 139487804

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(CO)c3n2)c1
InChIInChI=1S/C24H22ClN7O2/c25-19-3-4-30-14-27-21(22(30)6-19)8-26-24(34)18-7-28-32(10-18)12-20-11-31-9-16(15-1-2-15)5-17(13-33)23(31)29-20/h3-7,9-11,14-15,33H,1-2,8,12-13H2,(H,26,34)
InChIKeyVVCOBANEAOECKG-UHFFFAOYSA-N
MW475.94 g/mol
LogP3.18
Rot. Bonds7

About N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139487804) 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-8-(hydroxymethyl)imidazo[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-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID139487804
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(CO)c3n2)c1
InChIInChI=1S/C24H22ClN7O2/c25-19-3-4-30-14-27-21(22(30)6-19)8-26-24(34)18-7-28-32(10-18)12-20-11-31-9-16(15-1-2-15)5-17(13-33)23(31)29-20/h3-7,9-11,14-15,33H,1-2,8,12-13H2,(H,26,34)
InChIKeyVVCOBANEAOECKG-UHFFFAOYSA-N
XLogP3.18
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.18
H-Bond Donors ≤ 52
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-8-(hydroxymethyl)imidazo[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-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139487804) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[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-8-(hydroxymethyl)imidazo[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-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(CO)c3n2)c1.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is VVCOBANEAOECKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c25-19-3-4-30-14-27-21(22(30)6-19)8-26-24(34)18-7-28-32(10-18)12-20-11-31-9-16(15-1-2-15)5-17(13-33)23(31)29-20/h3-7,9-11,14-15,33H,1-2,8,12-13H2,(H,26,34).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 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-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).