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

C24H22BrN7O — CID 139488065

IUPACN-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)c1ncn2ccc(Br)cc12
InChIInChI=1S/C24H22BrN7O/c1-15(23-21-8-19(25)6-7-30(21)14-26-23)28-24(33)18-9-27-32(11-18)13-20-12-31-10-17(16-2-3-16)4-5-22(31)29-20/h4-12,14-16H,2-3,13H2,1H3,(H,28,33)
InChIKeyZHLCMZVGVOKALL-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.36
Rot. Bonds6

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

N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 139488065) has the molecular formula C24H22BrN7O and a molecular weight of 504.39 g/mol. Its IUPAC name is N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID139488065
Molecular FormulaC24H22BrN7O
Molecular Weight504.39 g/mol
Exact Mass503.11
IUPAC NameN-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)c1ncn2ccc(Br)cc12
InChIInChI=1S/C24H22BrN7O/c1-15(23-21-8-19(25)6-7-30(21)14-26-23)28-24(33)18-9-27-32(11-18)13-20-12-31-10-17(16-2-3-16)4-5-22(31)29-20/h4-12,14-16H,2-3,13H2,1H3,(H,28,33)
InChIKeyZHLCMZVGVOKALL-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[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-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide (CID 139488065) is N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)c1ncn2ccc(Br)cc12.
What is the InChIKey of N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZHLCMZVGVOKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN7O/c1-15(23-21-8-19(25)6-7-30(21)14-26-23)28-24(33)18-9-27-32(11-18)13-20-12-31-10-17(16-2-3-16)4-5-22(31)29-20/h4-12,14-16H,2-3,13H2,1H3,(H,28,33).
What are the key properties of N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide?
N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 504.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bromoimidazo[1,5-a]pyridin-1-yl)ethyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139488065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).