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

C24H22BrN7O — CID 139487685

IUPACN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn2cc1C1CC1
InChIInChI=1S/C24H22BrN7O/c1-15-6-23-29-19(11-31(23)13-20(15)16-2-3-16)12-32-10-17(8-28-32)24(33)26-9-21-22-7-18(25)4-5-30(22)14-27-21/h4-8,10-11,13-14,16H,2-3,9,12H2,1H3,(H,26,33)
InChIKeyIPYAFLZZLOACBG-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.11
Rot. Bonds6

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

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487685) has the molecular formula C24H22BrN7O and a molecular weight of 504.39 g/mol. Its IUPAC name is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139487685
Molecular FormulaC24H22BrN7O
Molecular Weight504.39 g/mol
Exact Mass503.11
IUPAC NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn2cc1C1CC1
InChIInChI=1S/C24H22BrN7O/c1-15-6-23-29-19(11-31(23)13-20(15)16-2-3-16)12-32-10-17(8-28-32)24(33)26-9-21-22-7-18(25)4-5-30(22)14-27-21/h4-8,10-11,13-14,16H,2-3,9,12H2,1H3,(H,26,33)
InChIKeyIPYAFLZZLOACBG-UHFFFAOYSA-N
XLogP4.11
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487685) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn2cc1C1CC1.
What is the InChIKey of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is IPYAFLZZLOACBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN7O/c1-15-6-23-29-19(11-31(23)13-20(15)16-2-3-16)12-32-10-17(8-28-32)24(33)26-9-21-22-7-18(25)4-5-30(22)14-27-21/h4-8,10-11,13-14,16H,2-3,9,12H2,1H3,(H,26,33).
What are the key properties of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 504.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).