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

C24H22BrN7O — CID 139487307

IUPACN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn12
InChIInChI=1S/C24H22BrN7O/c1-15-20(16-2-3-16)4-5-23-29-19(13-32(15)23)12-31-11-17(9-28-31)24(33)26-10-21-22-8-18(25)6-7-30(22)14-27-21/h4-9,11,13-14,16H,2-3,10,12H2,1H3,(H,26,33)
InChIKeyAYZDCCSRKYCBED-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.11
Rot. Bonds6

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

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139487307) 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-5-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-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139487307
Molecular FormulaC24H22BrN7O
Molecular Weight504.39 g/mol
Exact Mass503.11
IUPAC NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn12
InChIInChI=1S/C24H22BrN7O/c1-15-20(16-2-3-16)4-5-23-29-19(13-32(15)23)12-31-11-17(9-28-31)24(33)26-10-21-22-8-18(25)6-7-30(22)14-27-21/h4-9,11,13-14,16H,2-3,10,12H2,1H3,(H,26,33)
InChIKeyAYZDCCSRKYCBED-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-5-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-5-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-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139487307) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-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-5-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-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is Cc1c(C2CC2)ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Br)cc45)cn3)cn12.
What is the InChIKey of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is AYZDCCSRKYCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN7O/c1-15-20(16-2-3-16)4-5-23-29-19(13-32(15)23)12-31-11-17(9-28-31)24(33)26-10-21-22-8-18(25)6-7-30(22)14-27-21/h4-9,11,13-14,16H,2-3,10,12H2,1H3,(H,26,33).
What are the key properties of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-5-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-5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).