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

C30H31N3O4 — CID 71695669

IUPAC2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCOc1ccc(CNC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1
InChIInChI=1S/C30H31N3O4/c1-37-26-13-4-21(5-14-26)17-31-30(36)27-19-33-18-25(12-15-28(33)32-27)24-10-8-23(9-11-24)22-6-2-20(3-7-22)16-29(34)35/h4-5,8-15,18-20,22H,2-3,6-7,16-17H2,1H3,(H,31,36)(H,34,35)
InChIKeyUJEUALKBCLEWPQ-UHFFFAOYSA-N
MW497.60 g/mol
LogP5.69
Rot. Bonds8

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

2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695669) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695669
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCOc1ccc(CNC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1
InChIInChI=1S/C30H31N3O4/c1-37-26-13-4-21(5-14-26)17-31-30(36)27-19-33-18-25(12-15-28(33)32-27)24-10-8-23(9-11-24)22-6-2-20(3-7-22)16-29(34)35/h4-5,8-15,18-20,22H,2-3,6-7,16-17H2,1H3,(H,31,36)(H,34,35)
InChIKeyUJEUALKBCLEWPQ-UHFFFAOYSA-N
XLogP5.69
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695804
2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 118137180
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096
3-[4-[2-[(4-fluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]propanoic acid
CID 118720503
N-benzyl-6-(2,6-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876569
ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate
CID 118137179
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690200
6-chloro-N-[(3-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051334
N-[(3,4-dimethoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536396
6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876617
N-(cyclohexylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798271
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695669) is 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is COc1ccc(CNC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1.
What is the InChIKey of 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is UJEUALKBCLEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-37-26-13-4-21(5-14-26)17-31-30(36)27-19-33-18-25(12-15-28(33)32-27)24-10-8-23(9-11-24)22-6-2-20(3-7-22)16-29(34)35/h4-5,8-15,18-20,22H,2-3,6-7,16-17H2,1H3,(H,31,36)(H,34,35).
What are the key properties of 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 497.60 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).