1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone

C26H28FN7O2 — CID 91112037

IUPAC1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
SMILESCOc1nc(-c2nc3n(n2)CCN(C(C)=O)C3c2ccc(C(C)(C)F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H28FN7O2/c1-16-14-32(15-28-16)21-11-10-20(29-25(21)36-5)23-30-24-22(33(17(2)35)12-13-34(24)31-23)18-6-8-19(9-7-18)26(3,4)27/h6-11,14-15,22H,12-13H2,1-5H3
InChIKeyLDIMGGUUTOEARQ-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.00
Rot. Bonds5

About 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone

1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 91112037) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID91112037
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
SMILESCOc1nc(-c2nc3n(n2)CCN(C(C)=O)C3c2ccc(C(C)(C)F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H28FN7O2/c1-16-14-32(15-28-16)21-11-10-20(29-25(21)36-5)23-30-24-22(33(17(2)35)12-13-34(24)31-23)18-6-8-19(9-7-18)26(3,4)27/h6-11,14-15,22H,12-13H2,1-5H3
InChIKeyLDIMGGUUTOEARQ-UHFFFAOYSA-N
XLogP4.00
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Related Compounds

E-2212
CID 46854987
Rogocekib
CID 138522180
2-(4-fluoro-2-methylphenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 11257380
2-(2,3-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine
CID 11384094
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[1-(3,4,5-trifluorophenyl)ethyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633502
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863
2-(3,4-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine
CID 44578010
(8S)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 49872381
(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 49872384
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-2-methyl-1,2,4-triazol-3-amine
CID 49872483
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[1-(2,4,6-trifluorophenyl)ethyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53316726
8-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53320673

Frequently Asked Questions

What is the IUPAC name of 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone (CID 91112037) is 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone is COc1nc(-c2nc3n(n2)CCN(C(C)=O)C3c2ccc(C(C)(C)F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is LDIMGGUUTOEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-16-14-32(15-28-16)21-11-10-20(29-25(21)36-5)23-30-24-22(33(17(2)35)12-13-34(24)31-23)18-6-8-19(9-7-18)26(3,4)27/h6-11,14-15,22H,12-13H2,1-5H3.
What are the key properties of 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone?
1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 489.56 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[4-(2-fluoropropan-2-yl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 91112037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).