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

C32H35N3O3 — CID 71695738

IUPAC2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCC(C)c1ccc(CNC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1
InChIInChI=1S/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)
InChIKeyDMPAXCYZODPHBK-UHFFFAOYSA-N
MW509.65 g/mol
LogP6.80
Rot. Bonds8

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

2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695738) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695738
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCC(C)c1ccc(CNC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1
InChIInChI=1S/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37)
InChIKeyDMPAXCYZODPHBK-UHFFFAOYSA-N
XLogP6.80
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 56.80
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-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695738) is 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is CC(C)c1ccc(CNC(=O)c2cn3cc(-c4ccc(C5CCC(CC(=O)O)CC5)cc4)ccc3n2)cc1.
What is the InChIKey of 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is DMPAXCYZODPHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-21(2)24-7-5-23(6-8-24)18-33-32(38)29-20-35-19-28(15-16-30(35)34-29)27-13-11-26(12-14-27)25-9-3-22(4-10-25)17-31(36)37/h5-8,11-16,19-22,25H,3-4,9-10,17-18H2,1-2H3,(H,33,38)(H,36,37).
What are the key properties of 2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[(4-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 509.65 g/mol, XLogP of 6.80, 8 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-propan-2-ylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).