8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C23H20F4N6O — CID 66778067

IUPAC8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(-c2nc3n(n2)CCCC3c2ccc(C(F)(F)F)cc2F)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20F4N6O/c1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(10-17(15)24)23(25,26)27/h5-8,10-12,16H,3-4,9H2,1-2H3
InChIKeyRFFDWPHKLRLKFQ-UHFFFAOYSA-N
MW472.45 g/mol
LogP4.93
Rot. Bonds4

About 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66778067) has the molecular formula C23H20F4N6O and a molecular weight of 472.45 g/mol. Its IUPAC name is 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID66778067
Molecular FormulaC23H20F4N6O
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC Name8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(-c2nc3n(n2)CCCC3c2ccc(C(F)(F)F)cc2F)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20F4N6O/c1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(10-17(15)24)23(25,26)27/h5-8,10-12,16H,3-4,9H2,1-2H3
InChIKeyRFFDWPHKLRLKFQ-UHFFFAOYSA-N
XLogP4.93
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66778067) is 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CCCC3c2ccc(C(F)(F)F)cc2F)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RFFDWPHKLRLKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O/c1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(10-17(15)24)23(25,26)27/h5-8,10-12,16H,3-4,9H2,1-2H3.
What are the key properties of 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 472.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66778067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).