2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

C24H25F2N7O2 — CID 123273585

IUPAC2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCOc1ccc(-c2nc3n(n2)CCN(C(C)C(O)(Cn2cncn2)c2ccc(F)cc2F)C3)cc1
InChIInChI=1S/C24H25F2N7O2/c1-16(24(34,13-32-15-27-14-28-32)20-8-5-18(25)11-21(20)26)31-9-10-33-22(12-31)29-23(30-33)17-3-6-19(35-2)7-4-17/h3-8,11,14-16,34H,9-10,12-13H2,1-2H3
InChIKeyLEQISVXKBKJTIH-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.62
Rot. Bonds7

About 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 123273585) has the molecular formula C24H25F2N7O2 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID123273585
Molecular FormulaC24H25F2N7O2
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCOc1ccc(-c2nc3n(n2)CCN(C(C)C(O)(Cn2cncn2)c2ccc(F)cc2F)C3)cc1
InChIInChI=1S/C24H25F2N7O2/c1-16(24(34,13-32-15-27-14-28-32)20-8-5-18(25)11-21(20)26)31-9-10-33-22(12-31)29-23(30-33)17-3-6-19(35-2)7-4-17/h3-8,11,14-16,34H,9-10,12-13H2,1-2H3
InChIKeyLEQISVXKBKJTIH-UHFFFAOYSA-N
XLogP2.62
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 123273585) is 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is COc1ccc(-c2nc3n(n2)CCN(C(C)C(O)(Cn2cncn2)c2ccc(F)cc2F)C3)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is LEQISVXKBKJTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c1-16(24(34,13-32-15-27-14-28-32)20-8-5-18(25)11-21(20)26)31-9-10-33-22(12-31)29-23(30-33)17-3-6-19(35-2)7-4-17/h3-8,11,14-16,34H,9-10,12-13H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 481.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 123273585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).