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

C24H21F4N5O2 — CID 53497484

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)Oc1ccc(-c2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C24H21F4N5O2/c1-15(2)35-19-7-3-16(4-8-19)17-5-10-22(29-12-17)24(27,28)23(34,13-33-14-30-31-32-33)20-9-6-18(25)11-21(20)26/h3-12,14-15,34H,13H2,1-2H3
InChIKeyXOPDVDHHFGXZFH-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.48
Rot. Bonds8

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

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 53497484) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID53497484
Molecular FormulaC24H21F4N5O2
Molecular Weight487.46 g/mol
Exact Mass487.16
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)Oc1ccc(-c2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C24H21F4N5O2/c1-15(2)35-19-7-3-16(4-8-19)17-5-10-22(29-12-17)24(27,28)23(34,13-33-14-30-31-32-33)20-9-6-18(25)11-21(20)26/h3-12,14-15,34H,13H2,1-2H3
InChIKeyXOPDVDHHFGXZFH-UHFFFAOYSA-N
XLogP4.48
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-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 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 53497484) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is CC(C)Oc1ccc(-c2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is XOPDVDHHFGXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c1-15(2)35-19-7-3-16(4-8-19)17-5-10-22(29-12-17)24(27,28)23(34,13-33-14-30-31-32-33)20-9-6-18(25)11-21(20)26/h3-12,14-15,34H,13H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 487.46 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 53497484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).