2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol

C24H22F3N5O — CID 178072344

IUPAC2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCN(Cc1ccc(-c2ccccc2F)cn1)CC(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C24H22F3N5O/c1-31(12-19-8-6-17(11-29-19)20-4-2-3-5-22(20)26)13-24(33,14-32-16-28-15-30-32)21-9-7-18(25)10-23(21)27/h2-11,15-16,33H,12-14H2,1H3
InChIKeyILNHDWWSJVITFO-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.78
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 178072344) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID178072344
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCN(Cc1ccc(-c2ccccc2F)cn1)CC(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C24H22F3N5O/c1-31(12-19-8-6-17(11-29-19)20-4-2-3-5-22(20)26)13-24(33,14-32-16-28-15-30-32)21-9-7-18(25)10-23(21)27/h2-11,15-16,33H,12-14H2,1H3
InChIKeyILNHDWWSJVITFO-UHFFFAOYSA-N
XLogP3.78
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 178072344) is 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol is CN(Cc1ccc(-c2ccccc2F)cn1)CC(O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is ILNHDWWSJVITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-31(12-19-8-6-17(11-29-19)20-4-2-3-5-22(20)26)13-24(33,14-32-16-28-15-30-32)21-9-7-18(25)10-23(21)27/h2-11,15-16,33H,12-14H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 453.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[[5-(2-fluorophenyl)-2-pyridinyl]methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 178072344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).