5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine

C25H20ClF5N8O — CID 167422672

IUPAC5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine
SMILESCc1nccn1-c1cnn(C(CCOC(F)F)c2ccc(-c3c(-n4cc(C(F)F)nn4)ccc(Cl)c3F)cn2)c1
InChIInChI=1S/C25H20ClF5N8O/c1-14-32-7-8-37(14)16-11-34-38(12-16)20(6-9-40-25(30)31)18-4-2-15(10-33-18)22-21(5-3-17(26)23(22)27)39-13-19(24(28)29)35-36-39/h2-5,7-8,10-13,20,24-25H,6,9H2,1H3
InChIKeyJLQWCTZMZZTXCO-UHFFFAOYSA-N
MW578.93 g/mol
LogP5.97
Rot. Bonds10

About 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine

5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine (PubChem CID 167422672) has the molecular formula C25H20ClF5N8O and a molecular weight of 578.93 g/mol. Its IUPAC name is 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine.

Molecular Properties

Compound Name5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine
PubChem CID167422672
Molecular FormulaC25H20ClF5N8O
Molecular Weight578.93 g/mol
Exact Mass578.14
IUPAC Name5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine
SMILESCc1nccn1-c1cnn(C(CCOC(F)F)c2ccc(-c3c(-n4cc(C(F)F)nn4)ccc(Cl)c3F)cn2)c1
InChIInChI=1S/C25H20ClF5N8O/c1-14-32-7-8-37(14)16-11-34-38(12-16)20(6-9-40-25(30)31)18-4-2-15(10-33-18)22-21(5-3-17(26)23(22)27)39-13-19(24(28)29)35-36-39/h2-5,7-8,10-13,20,24-25H,6,9H2,1H3
InChIKeyJLQWCTZMZZTXCO-UHFFFAOYSA-N
XLogP5.97
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.93
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidopyridin-1-ium
CID 164607232
FXIa inhibitor 3f
CID 164607233
8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-2-[(4-methyltriazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 142423813
5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-2-cyclopropyl-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidopyridin-1-ium
CID 167421287
5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-2-(4-fluorophenyl)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidopyridin-1-ium
CID 167421549
5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-3-methoxy-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium
CID 167422077
5-[3-chloro-2-fluoro-6-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[(1R)-3-(difluoromethoxy)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium
CID 167422627
5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-[(1R)-3-(difluoromethoxy)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium
CID 167422704
5-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-2-[(1R)-3-methoxy-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium
CID 167421497
US11312713, Example 47
CID 135325102
US11312713, Example 94
CID 142423785
US11312713, Example 83
CID 142423801

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine?
The IUPAC name of 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine (CID 167422672) is 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine.
What is the SMILES notation for 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine?
The canonical SMILES for 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine is Cc1nccn1-c1cnn(C(CCOC(F)F)c2ccc(-c3c(-n4cc(C(F)F)nn4)ccc(Cl)c3F)cn2)c1.
What is the InChIKey of 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine?
The InChIKey is JLQWCTZMZZTXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF5N8O/c1-14-32-7-8-37(14)16-11-34-38(12-16)20(6-9-40-25(30)31)18-4-2-15(10-33-18)22-21(5-3-17(26)23(22)27)39-13-19(24(28)29)35-36-39/h2-5,7-8,10-13,20,24-25H,6,9H2,1H3.
What are the key properties of 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine?
5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine has a molecular weight of 578.93 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-6-[4-(difluoromethyl)triazol-1-yl]-2-fluorophenyl]-2-[3-(difluoromethoxy)-1-[4-(2-methylimidazol-1-yl)pyrazol-1-yl]propyl]pyridine is sourced from PubChem (CID 167422672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).