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

C29H29N3O3 — CID 118137180

IUPAC2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCc1ccc(NC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1
InChIInChI=1S/C29H29N3O3/c1-19-2-13-25(14-3-19)30-29(35)26-18-32-17-24(12-15-27(32)31-26)23-10-8-22(9-11-23)21-6-4-20(5-7-21)16-28(33)34/h2-3,8-15,17-18,20-21H,4-7,16H2,1H3,(H,30,35)(H,33,34)
InChIKeyGFBHMXLBEWIVQL-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.31
Rot. Bonds6

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

2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 118137180) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID118137180
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCc1ccc(NC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1
InChIInChI=1S/C29H29N3O3/c1-19-2-13-25(14-3-19)30-29(35)26-18-32-17-24(12-15-27(32)31-26)23-10-8-22(9-11-23)21-6-4-20(5-7-21)16-28(33)34/h2-3,8-15,17-18,20-21H,4-7,16H2,1H3,(H,30,35)(H,33,34)
InChIKeyGFBHMXLBEWIVQL-UHFFFAOYSA-N
XLogP6.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 118137180) is 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is Cc1ccc(NC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1.
What is the InChIKey of 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is GFBHMXLBEWIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-19-2-13-25(14-3-19)30-29(35)26-18-32-17-24(12-15-27(32)31-26)23-10-8-22(9-11-23)21-6-4-20(5-7-21)16-28(33)34/h2-3,8-15,17-18,20-21H,4-7,16H2,1H3,(H,30,35)(H,33,34).
What are the key properties of 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 467.57 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 118137180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).