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

C20H13ClF4N6O2 — CID 71138543

IUPAC1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Oc2ccc(Cl)cn2)cn1
InChIInChI=1S/C20H13ClF4N6O2/c21-12-1-6-18(27-8-12)33-14-3-5-17(26-9-14)20(24,25)19(32,10-31-11-28-29-30-31)15-4-2-13(22)7-16(15)23/h1-9,11,32H,10H2
InChIKeySYAXVNSNJHBVSD-UHFFFAOYSA-N
MW480.81 g/mol
LogP3.87
Rot. Bonds7

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

1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71138543) has the molecular formula C20H13ClF4N6O2 and a molecular weight of 480.81 g/mol. Its IUPAC name is 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71138543
Molecular FormulaC20H13ClF4N6O2
Molecular Weight480.81 g/mol
Exact Mass480.07
IUPAC Name1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Oc2ccc(Cl)cn2)cn1
InChIInChI=1S/C20H13ClF4N6O2/c21-12-1-6-18(27-8-12)33-14-3-5-17(26-9-14)20(24,25)19(32,10-31-11-28-29-30-31)15-4-2-13(22)7-16(15)23/h1-9,11,32H,10H2
InChIKeySYAXVNSNJHBVSD-UHFFFAOYSA-N
XLogP3.87
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(5-chloro-2-pyridinyl)oxy]-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 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (CID 71138543) is 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Oc2ccc(Cl)cn2)cn1.
What is the InChIKey of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is SYAXVNSNJHBVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF4N6O2/c21-12-1-6-18(27-8-12)33-14-3-5-17(26-9-14)20(24,25)19(32,10-31-11-28-29-30-31)15-4-2-13(22)7-16(15)23/h1-9,11,32H,10H2.
What are the key properties of 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 480.81 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71138543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).