(2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol

C21H14ClF4N5O — CID 118707102

IUPAC(2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESO[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H14ClF4N5O/c22-15-4-1-13(2-5-15)14-3-8-19(27-10-14)21(25,26)20(32,11-31-12-28-29-30-31)17-7-6-16(23)9-18(17)24/h1-10,12,32H,11H2/t20-/m0/s1
InChIKeyBNRLEARACNMGQQ-FQEVSTJZSA-N
MW463.82 g/mol
LogP4.35
Rot. Bonds6

About (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol

(2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 118707102) has the molecular formula C21H14ClF4N5O and a molecular weight of 463.82 g/mol. Its IUPAC name is (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
PubChem CID118707102
Molecular FormulaC21H14ClF4N5O
Molecular Weight463.82 g/mol
Exact Mass463.08
IUPAC Name(2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESO[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H14ClF4N5O/c22-15-4-1-13(2-5-15)14-3-8-19(27-10-14)21(25,26)20(32,11-31-12-28-29-30-31)17-7-6-16(23)9-18(17)24/h1-10,12,32H,11H2/t20-/m0/s1
InChIKeyBNRLEARACNMGQQ-FQEVSTJZSA-N
XLogP4.35
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.82
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol 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 (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (CID 118707102) is (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is BNRLEARACNMGQQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H14ClF4N5O/c22-15-4-1-13(2-5-15)14-3-8-19(27-10-14)21(25,26)20(32,11-31-12-28-29-30-31)17-7-6-16(23)9-18(17)24/h1-10,12,32H,11H2/t20-/m0/s1.
What are the key properties of (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
(2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 463.82 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(4-chlorophenyl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 118707102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).