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

C30H31N3O4 — CID 71695989

IUPAC2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCOc1ccccc1CNC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1
InChIInChI=1S/C30H31N3O4/c1-37-27-5-3-2-4-24(27)17-31-30(36)26-19-33-18-25(14-15-28(33)32-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-29(34)35/h2-5,10-15,18-21H,6-9,16-17H2,1H3,(H,31,36)(H,34,35)
InChIKeyQWZNBFHOGABKKO-UHFFFAOYSA-N
MW497.60 g/mol
LogP5.69
Rot. Bonds8

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

2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695989) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695989
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCOc1ccccc1CNC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1
InChIInChI=1S/C30H31N3O4/c1-37-27-5-3-2-4-24(27)17-31-30(36)26-19-33-18-25(14-15-28(33)32-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-29(34)35/h2-5,10-15,18-21H,6-9,16-17H2,1H3,(H,31,36)(H,34,35)
InChIKeyQWZNBFHOGABKKO-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695989) is 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is COc1ccccc1CNC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1.
What is the InChIKey of 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is QWZNBFHOGABKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-37-27-5-3-2-4-24(27)17-31-30(36)26-19-33-18-25(14-15-28(33)32-26)23-12-10-22(11-13-23)21-8-6-20(7-9-21)16-29(34)35/h2-5,10-15,18-21H,6-9,16-17H2,1H3,(H,31,36)(H,34,35).
What are the key properties of 2-[4-[4-[2-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[(2-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-[(2-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).