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

C34H31F2N9O3 — CID 71256316

IUPAC8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1cc(COc2nc(-n3cnc(C)c3)ccc2/C=C/c2nc3n(n2)CCCC3(O)c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1
InChIInChI=1S/C34H31F2N9O3/c1-21-16-43(19-38-21)30-10-6-24(32(41-30)48-18-23-13-28(47-3)31(37-15-23)44-17-22(2)39-20-44)5-9-29-40-33-34(46,11-4-12-45(33)42-29)25-7-8-26(35)27(36)14-25/h5-10,13-17,19-20,46H,4,11-12,18H2,1-3H3/b9-5+
InChIKeyGCAXXABDGNWVRC-WEVVVXLNSA-N
MW651.68 g/mol
LogP5.12
Rot. Bonds9

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

8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 71256316) has the molecular formula C34H31F2N9O3 and a molecular weight of 651.68 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID71256316
Molecular FormulaC34H31F2N9O3
Molecular Weight651.68 g/mol
Exact Mass651.25
IUPAC Name8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESCOc1cc(COc2nc(-n3cnc(C)c3)ccc2/C=C/c2nc3n(n2)CCCC3(O)c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1
InChIInChI=1S/C34H31F2N9O3/c1-21-16-43(19-38-21)30-10-6-24(32(41-30)48-18-23-13-28(47-3)31(37-15-23)44-17-22(2)39-20-44)5-9-29-40-33-34(46,11-4-12-45(33)42-29)25-7-8-26(35)27(36)14-25/h5-10,13-17,19-20,46H,4,11-12,18H2,1-3H3/b9-5+
InChIKeyGCAXXABDGNWVRC-WEVVVXLNSA-N
XLogP5.12
TPSA130.82 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500651.68
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-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 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 71256316) is 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol is COc1cc(COc2nc(-n3cnc(C)c3)ccc2/C=C/c2nc3n(n2)CCCC3(O)c2ccc(F)c(F)c2)cnc1-n1cnc(C)c1.
What is the InChIKey of 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is GCAXXABDGNWVRC-WEVVVXLNSA-N. The full InChI is InChI=1S/C34H31F2N9O3/c1-21-16-43(19-38-21)30-10-6-24(32(41-30)48-18-23-13-28(47-3)31(37-15-23)44-17-22(2)39-20-44)5-9-29-40-33-34(46,11-4-12-45(33)42-29)25-7-8-26(35)27(36)14-25/h5-10,13-17,19-20,46H,4,11-12,18H2,1-3H3/b9-5+.
What are the key properties of 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 651.68 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-2-[(E)-2-[2-[[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]methoxy]-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 71256316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).