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

C24H20ClN7O2 — CID 139488231

IUPACN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESO=Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C24H20ClN7O2/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/h3-7,9-11,13-15H,1-2,8,12H2,(H,26,34)
InChIKeyHUAZNQQPGORQFI-UHFFFAOYSA-N
MW473.92 g/mol
LogP3.50
Rot. Bonds7

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

N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139488231) has the molecular formula C24H20ClN7O2 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[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-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139488231
Molecular FormulaC24H20ClN7O2
Molecular Weight473.92 g/mol
Exact Mass473.14
IUPAC NameN-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESO=Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C24H20ClN7O2/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/h3-7,9-11,13-15H,1-2,8,12H2,(H,26,34)
InChIKeyHUAZNQQPGORQFI-UHFFFAOYSA-N
XLogP3.50
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-formylimidazo[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-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139488231) is N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[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-formylimidazo[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-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is O=Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is HUAZNQQPGORQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O2/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/h3-7,9-11,13-15H,1-2,8,12H2,(H,26,34).
What are the key properties of N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 3.50, 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-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).