cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C22H23N3O3 — CID 7344043

IUPACcis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc2nc(-c3cccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)O)c3)cn12
InChIInChI=1S/C22H23N3O3/c1-14-6-4-11-20-24-19(13-25(14)20)15-7-5-8-16(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)/t17-,18+/m0/s1
InChIKeySQOGXOOWDRSJJV-ZWKOTPCHSA-N
MW377.44 g/mol
LogP4.14
Rot. Bonds4

About cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 7344043) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID7344043
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namecis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc2nc(-c3cccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)O)c3)cn12
InChIInChI=1S/C22H23N3O3/c1-14-6-4-11-20-24-19(13-25(14)20)15-7-5-8-16(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)/t17-,18+/m0/s1
InChIKeySQOGXOOWDRSJJV-ZWKOTPCHSA-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

Analyze cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5298505
2-methyl-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 3499762
2-iodo-N-[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 23738260
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclohexanecarboxamide
CID 1480568
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
3-[[(1R,2R)-2-carboxycyclohexanecarbonyl]amino]benzoic acid
CID 761879
cis-(1S,2R)-2-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28637437
cis-(1R,2S)-2-[(3-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 844851
cis-(1S,2R)-2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 42561915

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 7344043) is cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1cccc2nc(-c3cccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)O)c3)cn12.
What is the InChIKey of cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SQOGXOOWDRSJJV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-6-4-11-20-24-19(13-25(14)20)15-7-5-8-16(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)/t17-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[[3-(5-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 cis-(1R,2S)-2-[[3-(5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 7344043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).