2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

C29H29N3O3 — CID 71695867

IUPAC2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)NCc5ccccc5)cn4c3)cc2)CC1
InChIInChI=1S/C29H29N3O3/c33-28(34)16-20-6-8-22(9-7-20)23-10-12-24(13-11-23)25-14-15-27-31-26(19-32(27)18-25)29(35)30-17-21-4-2-1-3-5-21/h1-5,10-15,18-20,22H,6-9,16-17H2,(H,30,35)(H,33,34)
InChIKeyASGSXSYUIWQRLX-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.68
Rot. Bonds7

About 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695867) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695867
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)NCc5ccccc5)cn4c3)cc2)CC1
InChIInChI=1S/C29H29N3O3/c33-28(34)16-20-6-8-22(9-7-20)23-10-12-24(13-11-23)25-14-15-27-31-26(19-32(27)18-25)29(35)30-17-21-4-2-1-3-5-21/h1-5,10-15,18-20,22H,6-9,16-17H2,(H,30,35)(H,33,34)
InChIKeyASGSXSYUIWQRLX-UHFFFAOYSA-N
XLogP5.68
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

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CID 68752
Zolpidem carboxylic acid
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Dgat1-IN-1
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N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
7-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469219
6-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234858
N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 70675134
US10087188, Example 1
CID 121454909
US10087188, Example 168
CID 121455523
US10087188, Example 158
CID 121455701
US10087188, Example 99
CID 121455810
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 155923771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695867) is 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)NCc5ccccc5)cn4c3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is ASGSXSYUIWQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-28(34)16-20-6-8-22(9-7-20)23-10-12-24(13-11-23)25-14-15-27-31-26(19-32(27)18-25)29(35)30-17-21-4-2-1-3-5-21/h1-5,10-15,18-20,22H,6-9,16-17H2,(H,30,35)(H,33,34).
What are the key properties of 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 467.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(benzylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).