(8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C24H22F2N6O — CID 58105175

IUPAC(8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(O)c3cc(F)cc(F)c3)nc2C)cn1
InChIInChI=1S/C24H22F2N6O/c1-15-13-31(14-27-15)21-6-4-20(28-16(21)2)5-7-22-29-23-24(33,8-3-9-32(23)30-22)17-10-18(25)12-19(26)11-17/h4-7,10-14,33H,3,8-9H2,1-2H3/b7-5+/t24-/m0/s1
InChIKeyJJTKBTVRNQNQCG-COIATFDQSA-N
MW448.48 g/mol
LogP3.95
Rot. Bonds4

About (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol

(8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 58105175) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name(8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID58105175
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name(8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(O)c3cc(F)cc(F)c3)nc2C)cn1
InChIInChI=1S/C24H22F2N6O/c1-15-13-31(14-27-15)21-6-4-20(28-16(21)2)5-7-22-29-23-24(33,8-3-9-32(23)30-22)17-10-18(25)12-19(26)11-17/h4-7,10-14,33H,3,8-9H2,1-2H3/b7-5+/t24-/m0/s1
InChIKeyJJTKBTVRNQNQCG-COIATFDQSA-N
XLogP3.95
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 58105175) is (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol is Cc1cn(-c2ccc(/C=C/c3nc4n(n3)CCC[C@]4(O)c3cc(F)cc(F)c3)nc2C)cn1.
What is the InChIKey of (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is JJTKBTVRNQNQCG-COIATFDQSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-15-13-31(14-27-15)21-6-4-20(28-16(21)2)5-7-22-29-23-24(33,8-3-9-32(23)30-22)17-10-18(25)12-19(26)11-17/h4-7,10-14,33H,3,8-9H2,1-2H3/b7-5+/t24-/m0/s1.
What are the key properties of (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
(8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 448.48 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(3,5-difluorophenyl)-2-[(E)-2-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 58105175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).