7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

C22H21F3N4O — CID 66843678

IUPAC7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(NC3CCC(O)CC3)cc2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)11-17-13-27-21-20(12-26)19(9-10-29(17)21)14-1-3-15(4-2-14)28-16-5-7-18(30)8-6-16/h1-4,9-10,13,16,18,28,30H,5-8,11H2
InChIKeyYXVHEVLRYWCFHH-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.69
Rot. Bonds4

About 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 66843678) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID66843678
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1c(-c2ccc(NC3CCC(O)CC3)cc2)ccn2c(CC(F)(F)F)cnc12
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)11-17-13-27-21-20(12-26)19(9-10-29(17)21)14-1-3-15(4-2-14)28-16-5-7-18(30)8-6-16/h1-4,9-10,13,16,18,28,30H,5-8,11H2
InChIKeyYXVHEVLRYWCFHH-UHFFFAOYSA-N
XLogP4.69
TPSA73.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile with MolForge

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Related Compounds

7-[1-(cyclopropylmethyl)indol-5-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 71456562
4-[2-chloro-4-[8-chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]anilino]-1-methylcyclohexan-1-ol
CID 160725308
2-[(4-hydroxycyclohexyl)amino]-6-(trifluoromethyl)benzonitrile
CID 141237421
4-[4-(pyrazol-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106594322
4-[(4-hydroxycyclohexyl)amino]-1H-pyridazin-6-one
CID 104966848
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
4-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 59662580
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
4-[(6-pyrazol-1-yl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593874
5-[4-[(4-hydroxycyclohexyl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 106593889
1-(2-cyclopropylethyl)-4-[4-(oxan-4-ylamino)-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carbonitrile
CID 25004354

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 66843678) is 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1c(-c2ccc(NC3CCC(O)CC3)cc2)ccn2c(CC(F)(F)F)cnc12.
What is the InChIKey of 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is YXVHEVLRYWCFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c23-22(24,25)11-17-13-27-21-20(12-26)19(9-10-29(17)21)14-1-3-15(4-2-14)28-16-5-7-18(30)8-6-16/h1-4,9-10,13,16,18,28,30H,5-8,11H2.
What are the key properties of 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 414.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 66843678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).