(3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid

C23H22F6N4O4 — CID 11512108

IUPAC(3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESNc1cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C23H22F6N4O4/c24-22(25,26)14-3-1-2-13(8-14)20-19(12-4-6-31-17(30)9-12)32-21(23(27,28)29)33(20)7-5-15(34)10-16(35)11-18(36)37/h1-4,6,8-9,15-16,34-35H,5,7,10-11H2,(H2,30,31)(H,36,37)/t15-,16-/m1/s1
InChIKeyIDURZPFUBNYJPO-HZPDHXFCSA-N
MW532.44 g/mol
LogP4.21
Rot. Bonds9

About (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid

(3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 11512108) has the molecular formula C23H22F6N4O4 and a molecular weight of 532.44 g/mol. Its IUPAC name is (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

Compound Name(3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid
PubChem CID11512108
Molecular FormulaC23H22F6N4O4
Molecular Weight532.44 g/mol
Exact Mass532.15
IUPAC Name(3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid
SMILESNc1cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C23H22F6N4O4/c24-22(25,26)14-3-1-2-13(8-14)20-19(12-4-6-31-17(30)9-12)32-21(23(27,28)29)33(20)7-5-15(34)10-16(35)11-18(36)37/h1-4,6,8-9,15-16,34-35H,5,7,10-11H2,(H2,30,31)(H,36,37)/t15-,16-/m1/s1
InChIKeyIDURZPFUBNYJPO-HZPDHXFCSA-N
XLogP4.21
TPSA134.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.44
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-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 (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The IUPAC name of (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid (CID 11512108) is (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid.
What is the SMILES notation for (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The canonical SMILES for (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid is Nc1cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c2-c2cccc(C(F)(F)F)c2)ccn1.
What is the InChIKey of (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
The InChIKey is IDURZPFUBNYJPO-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H22F6N4O4/c24-22(25,26)14-3-1-2-13(8-14)20-19(12-4-6-31-17(30)9-12)32-21(23(27,28)29)33(20)7-5-15(34)10-16(35)11-18(36)37/h1-4,6,8-9,15-16,34-35H,5,7,10-11H2,(H2,30,31)(H,36,37)/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid?
(3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 532.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-7-[4-(2-amino-4-pyridinyl)-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 11512108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).