2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C25H20F3N7O — CID 25213311

IUPAC2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3(C#N)c2cc(F)c(F)c(F)c2)cnc1-n1cnc(C)c1
InChIInChI=1S/C25H20F3N7O/c1-15-12-34(14-31-15)23-20(36-2)8-16(11-30-23)4-5-21-32-24-25(13-29,6-3-7-35(24)33-21)17-9-18(26)22(28)19(27)10-17/h4-5,8-12,14H,3,6-7H2,1-2H3/b5-4+
InChIKeyBHUCRVYVUFCXRC-SNAWJCMRSA-N
MW491.48 g/mol
LogP4.37
Rot. Bonds5

About 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 25213311) has the molecular formula C25H20F3N7O and a molecular weight of 491.48 g/mol. Its IUPAC name is 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID25213311
Molecular FormulaC25H20F3N7O
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC Name2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCOc1cc(/C=C/c2nc3n(n2)CCCC3(C#N)c2cc(F)c(F)c(F)c2)cnc1-n1cnc(C)c1
InChIInChI=1S/C25H20F3N7O/c1-15-12-34(14-31-15)23-20(36-2)8-16(11-30-23)4-5-21-32-24-25(13-29,6-3-7-35(24)33-21)17-9-18(26)22(28)19(27)10-17/h4-5,8-12,14H,3,6-7H2,1-2H3/b5-4+
InChIKeyBHUCRVYVUFCXRC-SNAWJCMRSA-N
XLogP4.37
TPSA94.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile with MolForge

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Related Compounds

E-2212
CID 46854987
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 34
CID 118278242
US10399985, Example 37
CID 118288255
US10399985, Example 38
CID 118288258
US10399985, Example 40
CID 118288259
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 11257380

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 25213311) is 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is COc1cc(/C=C/c2nc3n(n2)CCCC3(C#N)c2cc(F)c(F)c(F)c2)cnc1-n1cnc(C)c1.
What is the InChIKey of 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is BHUCRVYVUFCXRC-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H20F3N7O/c1-15-12-34(14-31-15)23-20(36-2)8-16(11-30-23)4-5-21-32-24-25(13-29,6-3-7-35(24)33-21)17-9-18(26)22(28)19(27)10-17/h4-5,8-12,14H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 491.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 25213311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).