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

C21H15BrF3N7O — CID 139487786

IUPACN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C(F)(F)F)ccc3n2)c1
InChIInChI=1S/C21H15BrF3N7O/c22-15-3-4-30-12-27-17(18(30)5-15)7-26-20(33)13-6-28-32(8-13)11-16-10-31-9-14(21(23,24)25)1-2-19(31)29-16/h1-6,8-10,12H,7,11H2,(H,26,33)
InChIKeyJVZOYIDCIORJAQ-UHFFFAOYSA-N
MW518.30 g/mol
LogP3.94
Rot. Bonds5

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

N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 139487786) has the molecular formula C21H15BrF3N7O and a molecular weight of 518.30 g/mol. Its IUPAC name is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[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-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID139487786
Molecular FormulaC21H15BrF3N7O
Molecular Weight518.30 g/mol
Exact Mass517.05
IUPAC NameN-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C(F)(F)F)ccc3n2)c1
InChIInChI=1S/C21H15BrF3N7O/c22-15-3-4-30-12-27-17(18(30)5-15)7-26-20(33)13-6-28-32(8-13)11-16-10-31-9-14(21(23,24)25)1-2-19(31)29-16/h1-6,8-10,12H,7,11H2,(H,26,33)
InChIKeyJVZOYIDCIORJAQ-UHFFFAOYSA-N
XLogP3.94
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(trifluoromethyl)imidazo[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-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide (CID 139487786) is N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[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-(trifluoromethyl)imidazo[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-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is O=C(NCc1ncn2ccc(Br)cc12)c1cnn(Cc2cn3cc(C(F)(F)F)ccc3n2)c1.
What is the InChIKey of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is JVZOYIDCIORJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrF3N7O/c22-15-3-4-30-12-27-17(18(30)5-15)7-26-20(33)13-6-28-32(8-13)11-16-10-31-9-14(21(23,24)25)1-2-19(31)29-16/h1-6,8-10,12H,7,11H2,(H,26,33).
What are the key properties of N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide?
N-[(7-bromoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 518.30 g/mol, XLogP of 3.94, 5 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-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 139487786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).