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

C21H21F3N4O — CID 70862771

IUPACN-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(NCC1(c2cccnc2)CCCCC1)c1cccc2nc(C(F)(F)F)cn12
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)17-13-28-16(7-4-8-18(28)27-17)19(29)26-14-20(9-2-1-3-10-20)15-6-5-11-25-12-15/h4-8,11-13H,1-3,9-10,14H2,(H,26,29)
InChIKeyKPHFAKUSYZEACT-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.38
Rot. Bonds4

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

N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862771) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862771
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC NameN-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(NCC1(c2cccnc2)CCCCC1)c1cccc2nc(C(F)(F)F)cn12
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)17-13-28-16(7-4-8-18(28)27-17)19(29)26-14-20(9-2-1-3-10-20)15-6-5-11-25-12-15/h4-8,11-13H,1-3,9-10,14H2,(H,26,29)
InChIKeyKPHFAKUSYZEACT-UHFFFAOYSA-N
XLogP4.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 25268331
2-(1,1-dihydroxythiazinan-2-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 68767827
2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862382
2-(6-oxo-1H-pyridin-3-yl)-N-[(1-pyridin-3-ylcyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 143748412
3-chloro-N-[(1-pyridin-3-ylcyclohexyl)methyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide
CID 59579878
6-methyl-N-[(1-pyridin-3-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 110483045
3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 143685576
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]pyridine-3-carboxamide
CID 167141634
N-[(1-phenylcyclopentyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044290
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 70862771) is N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide is O=C(NCC1(c2cccnc2)CCCCC1)c1cccc2nc(C(F)(F)F)cn12.
What is the InChIKey of N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is KPHFAKUSYZEACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c22-21(23,24)17-13-28-16(7-4-8-18(28)27-17)19(29)26-14-20(9-2-1-3-10-20)15-6-5-11-25-12-15/h4-8,11-13H,1-3,9-10,14H2,(H,26,29).
What are the key properties of N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide?
N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).