(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate

C28H31FN3O5- — CID 91932242

IUPAC(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
SMILESCc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1
InChIInChI=1S/C28H32FN3O5/c1-17-2-4-18(5-3-17)16-30-28(37)25-26(19-6-7-19)32(13-12-22(33)14-23(34)15-24(35)36)27(31-25)20-8-10-21(29)11-9-20/h2-5,8-11,19,22-23,33-34H,6-7,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1
InChIKeyFLDKOBFFVNHKDV-DHIUTWEWSA-M
MW508.57 g/mol
LogP2.45
Rot. Bonds12

About (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate

(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate (PubChem CID 91932242) has the molecular formula C28H31FN3O5- and a molecular weight of 508.57 g/mol. Its IUPAC name is (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate.

Molecular Properties

Compound Name(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
PubChem CID91932242
Molecular FormulaC28H31FN3O5-
Molecular Weight508.57 g/mol
Exact Mass508.23
IUPAC Name(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
SMILESCc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1
InChIInChI=1S/C28H32FN3O5/c1-17-2-4-18(5-3-17)16-30-28(37)25-26(19-6-7-19)32(13-12-22(33)14-23(34)15-24(35)36)27(31-25)20-8-10-21(29)11-9-20/h2-5,8-11,19,22-23,33-34H,6-7,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1
InChIKeyFLDKOBFFVNHKDV-DHIUTWEWSA-M
XLogP2.45
TPSA127.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 91932245
sodium (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(3-fluorophenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 53238555
sodium (3R,5R)-7-[5-cyclopropyl-4-[(2,4-difluorophenyl)methylcarbamoyl]-2-(4-fluorophenyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 54586077
sodium (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(2-methoxyphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 54585103
(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoate
CID 44629670
sodium (3R,5R)-7-[2-(4-fluorophenyl)-5-methyl-4-[(4-sulfamoylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 58773118
(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-phenylphenyl)methylcarbamoyl]-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
CID 24901662
sodium (3R,5R)-7-[5-ethyl-2-(4-fluorophenyl)-4-(2-phenylethylcarbamoyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 58773198
sodium;(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;hydride
CID 173165996
sodium (3R,5R)-7-[2-(4-fluorophenyl)-5-propan-2-yl-4-(2-pyridin-4-ylethylcarbamoyl)imidazol-1-yl]-3,5-dihydroxyheptanoate
CID 142684773
5-cyclopropyl-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1-[2-(6-oxooxan-2-yl)ethyl]imidazole-4-carboxamide
CID 143131309
1-(3,5-dihydroxyheptyl)-2-(4-fluorophenyl)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-ylimidazole-4-carboxamide
CID 174504872

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate?
The IUPAC name of (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate (CID 91932242) is (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate.
What is the SMILES notation for (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate?
The canonical SMILES for (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate is Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1.
What is the InChIKey of (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate?
The InChIKey is FLDKOBFFVNHKDV-DHIUTWEWSA-M. The full InChI is InChI=1S/C28H32FN3O5/c1-17-2-4-18(5-3-17)16-30-28(37)25-26(19-6-7-19)32(13-12-22(33)14-23(34)15-24(35)36)27(31-25)20-8-10-21(29)11-9-20/h2-5,8-11,19,22-23,33-34H,6-7,12-16H2,1H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1.
What are the key properties of (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate?
(3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate has a molecular weight of 508.57 g/mol, XLogP of 2.45, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[5-cyclopropyl-2-(4-fluorophenyl)-4-[(4-methylphenyl)methylcarbamoyl]imidazol-1-yl]-3,5-dihydroxyheptanoate is sourced from PubChem (CID 91932242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).