N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C22H17F3N4O — CID 167958638

IUPACN-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2nc(-c3ccccc3C(F)(F)F)c3ccccn23)nc1
InChIInChI=1S/C22H17F3N4O/c1-14-10-11-18(26-13-14)28(2)21(30)20-27-19(17-9-5-6-12-29(17)20)15-7-3-4-8-16(15)22(23,24)25/h3-13H,1-2H3
InChIKeyZZMDULPBFGRVQD-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.00
Rot. Bonds3

About N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide

N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 167958638) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID167958638
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(N(C)C(=O)c2nc(-c3ccccc3C(F)(F)F)c3ccccn23)nc1
InChIInChI=1S/C22H17F3N4O/c1-14-10-11-18(26-13-14)28(2)21(30)20-27-19(17-9-5-6-12-29(17)20)15-7-3-4-8-16(15)22(23,24)25/h3-13H,1-2H3
InChIKeyZZMDULPBFGRVQD-UHFFFAOYSA-N
XLogP5.00
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-4-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 122529833
(3R)-N-[4-(dimethylamino)phenyl]-3-[1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
CID 171543840
6-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63618090
1-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]ethanone
CID 82391274
1-N-tert-butyl-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071069
5-methyl-2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722143
1-N-(3,5-dimethylphenyl)-3-N-methyl-3-N-phenylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072004
1-(4-methylphenyl)-3-[1-(4-methylphenyl)imidazo[1,5-a]pyridin-3-yl]imidazo[1,5-a]pyridine
CID 132965985
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
N-methyl-3-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90176026
3-N-methyl-3-N-phenyl-1-N,1-N-dipropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071669
N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914477

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 167958638) is N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide is Cc1ccc(N(C)C(=O)c2nc(-c3ccccc3C(F)(F)F)c3ccccn23)nc1.
What is the InChIKey of N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZZMDULPBFGRVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-14-10-11-18(26-13-14)28(2)21(30)20-27-19(17-9-5-6-12-29(17)20)15-7-3-4-8-16(15)22(23,24)25/h3-13H,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 167958638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).