2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C22H23N3O3 — CID 5298505

IUPAC2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccn2cc(-c3cccc(NC(=O)C4CCCCC4C(=O)O)c3)nc12
InChIInChI=1S/C22H23N3O3/c1-14-6-5-11-25-13-19(24-20(14)25)15-7-4-8-16(12-15)23-21(26)17-9-2-3-10-18(17)22(27)28/h4-8,11-13,17-18H,2-3,9-10H2,1H3,(H,23,26)(H,27,28)
InChIKeyDBFXTKIJURGQIL-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.14
Rot. Bonds4

About 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 5298505) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID5298505
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccn2cc(-c3cccc(NC(=O)C4CCCCC4C(=O)O)c3)nc12
InChIInChI=1S/C22H23N3O3/c1-14-6-5-11-25-13-19(24-20(14)25)15-7-4-8-16(12-15)23-21(26)17-9-2-3-10-18(17)22(27)28/h4-8,11-13,17-18H,2-3,9-10H2,1H3,(H,23,26)(H,27,28)
InChIKeyDBFXTKIJURGQIL-UHFFFAOYSA-N
XLogP4.14
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 122284189
2-hydroxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110014145
cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7344043
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168265
(E)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 121055726
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanesulfonamide
CID 122284339
2,4-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121089998
2-(1,3-dioxoisoindol-2-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122284265
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3,5-dinitrobenzamide
CID 121028685
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 122284247
1-(2-chloro-4-methylphenyl)-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 121090099
3,4-dimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028699

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 5298505) is 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1cccn2cc(-c3cccc(NC(=O)C4CCCCC4C(=O)O)c3)nc12.
What is the InChIKey of 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DBFXTKIJURGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-5-11-25-13-19(24-20(14)25)15-7-4-8-16(12-15)23-21(26)17-9-2-3-10-18(17)22(27)28/h4-8,11-13,17-18H,2-3,9-10H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5298505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).