3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile

C21H22N4 — CID 143687666

IUPAC3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCc1ccccc1-c1nc2cc(C#N)ccn2c1NC1CCCCC1
InChIInChI=1S/C21H22N4/c1-15-7-5-6-10-18(15)20-21(23-17-8-3-2-4-9-17)25-12-11-16(14-22)13-19(25)24-20/h5-7,10-13,17,23H,2-4,8-9H2,1H3
InChIKeyWIWDCEDOPPAFJM-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.93
Rot. Bonds3

About 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile

3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 143687666) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID143687666
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCc1ccccc1-c1nc2cc(C#N)ccn2c1NC1CCCCC1
InChIInChI=1S/C21H22N4/c1-15-7-5-6-10-18(15)20-21(23-17-8-3-2-4-9-17)25-12-11-16(14-22)13-19(25)24-20/h5-7,10-13,17,23H,2-4,8-9H2,1H3
InChIKeyWIWDCEDOPPAFJM-UHFFFAOYSA-N
XLogP4.93
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 45255135
N-cyclohexyl-7-methyl-2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4217109
3-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-8-methyl-1H-quinolin-2-one
CID 1433063
N-cyclopentyl-2-(2,3-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 1139308
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] phenylmethanesulfonate
CID 3557743
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
N-cyclohexyl-2-(7-methyl-1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
CID 138535791
2-(3-chloro-2-fluorophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 45255360
N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 45377010
5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 143959387
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-pentylbenzoate
CID 42658907
2-(2-chlorophenyl)-N-cyclopentyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 45255941

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile (CID 143687666) is 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile is Cc1ccccc1-c1nc2cc(C#N)ccn2c1NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is WIWDCEDOPPAFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15-7-5-6-10-18(15)20-21(23-17-8-3-2-4-9-17)25-12-11-16(14-22)13-19(25)24-20/h5-7,10-13,17,23H,2-4,8-9H2,1H3.
What are the key properties of 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile?
3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 330.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 143687666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).