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

C21H15ClF4N6O2 — CID 71138708

IUPAC1-[5-[(5-chloro-2-pyridinyl)methoxy]-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(OCc2ccc(Cl)cn2)cn1
InChIInChI=1S/C21H15ClF4N6O2/c22-13-1-3-15(27-8-13)10-34-16-4-6-19(28-9-16)21(25,26)20(33,11-32-12-29-30-31-32)17-5-2-14(23)7-18(17)24/h1-9,12,33H,10-11H2
InChIKeyHLUHTLIKEKHNPM-UHFFFAOYSA-N
MW494.84 g/mol
LogP3.65
Rot. Bonds8

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

1-[5-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71138708) has the molecular formula C21H15ClF4N6O2 and a molecular weight of 494.84 g/mol. Its IUPAC name is 1-[5-[(5-chloro-2-pyridinyl)methoxy]-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)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71138708
Molecular FormulaC21H15ClF4N6O2
Molecular Weight494.84 g/mol
Exact Mass494.09
IUPAC Name1-[5-[(5-chloro-2-pyridinyl)methoxy]-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(OCc2ccc(Cl)cn2)cn1
InChIInChI=1S/C21H15ClF4N6O2/c22-13-1-3-15(27-8-13)10-34-16-4-6-19(28-9-16)21(25,26)20(33,11-32-12-29-30-31-32)17-5-2-14(23)7-18(17)24/h1-9,12,33H,10-11H2
InChIKeyHLUHTLIKEKHNPM-UHFFFAOYSA-N
XLogP3.65
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(5-chloro-2-pyridinyl)methoxy]-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)methoxy]-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)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (CID 71138708) is 1-[5-[(5-chloro-2-pyridinyl)methoxy]-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)methoxy]-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)methoxy]-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(OCc2ccc(Cl)cn2)cn1.
What is the InChIKey of 1-[5-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is HLUHTLIKEKHNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N6O2/c22-13-1-3-15(27-8-13)10-34-16-4-6-19(28-9-16)21(25,26)20(33,11-32-12-29-30-31-32)17-5-2-14(23)7-18(17)24/h1-9,12,33H,10-11H2.
What are the key properties of 1-[5-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
1-[5-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 494.84 g/mol, XLogP of 3.65, 8 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)methoxy]-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71138708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).