8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C24H20ClF3N6O2 — CID 171677266

IUPAC8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1)c1cnc2c(Cl)cccn12
InChIInChI=1S/C24H20ClF3N6O2/c25-19-6-3-9-33-20(13-29-21(19)33)22(35)31-15-12-30-34(14-15)16-7-10-32(11-8-16)23(36)17-4-1-2-5-18(17)24(26,27)28/h1-6,9,12-14,16H,7-8,10-11H2,(H,31,35)
InChIKeyHMCQWFQYVKMUON-UHFFFAOYSA-N
MW516.91 g/mol
LogP4.93
Rot. Bonds4

About 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171677266) has the molecular formula C24H20ClF3N6O2 and a molecular weight of 516.91 g/mol. Its IUPAC name is 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171677266
Molecular FormulaC24H20ClF3N6O2
Molecular Weight516.91 g/mol
Exact Mass516.13
IUPAC Name8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1)c1cnc2c(Cl)cccn12
InChIInChI=1S/C24H20ClF3N6O2/c25-19-6-3-9-33-20(13-29-21(19)33)22(35)31-15-12-30-34(14-15)16-7-10-32(11-8-16)23(36)17-4-1-2-5-18(17)24(26,27)28/h1-6,9,12-14,16H,7-8,10-11H2,(H,31,35)
InChIKeyHMCQWFQYVKMUON-UHFFFAOYSA-N
XLogP4.93
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.91
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 51000508
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171677266) is 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(Nc1cnn(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1)c1cnc2c(Cl)cccn12.
What is the InChIKey of 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HMCQWFQYVKMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N6O2/c25-19-6-3-9-33-20(13-29-21(19)33)22(35)31-15-12-30-34(14-15)16-7-10-32(11-8-16)23(36)17-4-1-2-5-18(17)24(26,27)28/h1-6,9,12-14,16H,7-8,10-11H2,(H,31,35).
What are the key properties of 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 516.91 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171677266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).