7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid

C32H30FN5O4 — CID 58782231

IUPAC7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESO=C(O)CC(O)CC(O)CCn1c(-c2ccccc2)nc(-c2ccnc(Nc3ccccc3)n2)c1-c1ccc(F)cc1
InChIInChI=1S/C32H30FN5O4/c33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-25(39)19-26(40)20-28(41)42/h1-15,17,25-26,39-40H,16,18-20H2,(H,41,42)(H,34,35,36)
InChIKeyNRSREUKUYNZIGF-UHFFFAOYSA-N
MW567.62 g/mol
LogP5.53
Rot. Bonds12

About 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid

7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 58782231) has the molecular formula C32H30FN5O4 and a molecular weight of 567.62 g/mol. Its IUPAC name is 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
PubChem CID58782231
Molecular FormulaC32H30FN5O4
Molecular Weight567.62 g/mol
Exact Mass567.23
IUPAC Name7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESO=C(O)CC(O)CC(O)CCn1c(-c2ccccc2)nc(-c2ccnc(Nc3ccccc3)n2)c1-c1ccc(F)cc1
InChIInChI=1S/C32H30FN5O4/c33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-25(39)19-26(40)20-28(41)42/h1-15,17,25-26,39-40H,16,18-20H2,(H,41,42)(H,34,35,36)
InChIKeyNRSREUKUYNZIGF-UHFFFAOYSA-N
XLogP5.53
TPSA133.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.62
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid (CID 58782231) is 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid is O=C(O)CC(O)CC(O)CCn1c(-c2ccccc2)nc(-c2ccnc(Nc3ccccc3)n2)c1-c1ccc(F)cc1.
What is the InChIKey of 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is NRSREUKUYNZIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O4/c33-23-13-11-21(12-14-23)30-29(27-15-17-34-32(36-27)35-24-9-5-2-6-10-24)37-31(22-7-3-1-4-8-22)38(30)18-16-25(39)19-26(40)20-28(41)42/h1-15,17,25-26,39-40H,16,18-20H2,(H,41,42)(H,34,35,36).
What are the key properties of 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid?
7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 567.62 g/mol, XLogP of 5.53, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-2-phenylimidazol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 58782231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).