1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol

C18H18F2N6O — CID 68644810

IUPAC1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(O)(c1ccc(F)cc1F)C(N1Cc2cc(N)ccc2N1)n1cncn1
InChIInChI=1S/C18H18F2N6O/c1-18(27,14-4-2-12(19)7-15(14)20)17(26-10-22-9-23-26)25-8-11-6-13(21)3-5-16(11)24-25/h2-7,9-10,17,24,27H,8,21H2,1H3
InChIKeyLSESMZRBUJJHNE-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.39
Rot. Bonds4

About 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol

1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 68644810) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID68644810
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(O)(c1ccc(F)cc1F)C(N1Cc2cc(N)ccc2N1)n1cncn1
InChIInChI=1S/C18H18F2N6O/c1-18(27,14-4-2-12(19)7-15(14)20)17(26-10-22-9-23-26)25-8-11-6-13(21)3-5-16(11)24-25/h2-7,9-10,17,24,27H,8,21H2,1H3
InChIKeyLSESMZRBUJJHNE-UHFFFAOYSA-N
XLogP2.39
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)-3-hydroxy-2-(1,2,4-triazol-1-yl)butanoic acid
CID 70518449
2-(2,4-difluorophenyl)-4-piperazin-1-yl-3-(1,2,4-triazol-1-yl)butan-2-ol
CID 171109054
(1R,2R)-2-(2,4-difluorophenyl)-1-methoxy-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CID 6482139
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3S)-2-(2,4-difluorophenyl)-3-(4-imidazol-1-ylphenyl)-4-(1,2,4-triazol-1-yl)butan-2-ol
CID 70038788
1-[2-(2,4-difluorophenyl)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butyl]-1,2,4-triazole;methane
CID 159552172
7-(2,4-difluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)heptan-3-ol
CID 45137619
1-tert-butylsulfanyl-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10594877
3-(4-amino-2-chlorophenyl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 54380800
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
2-(2,4-difluorophenyl)-3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139619155
1-[(4-tert-butylphenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11524470

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol (CID 68644810) is 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol is CC(O)(c1ccc(F)cc1F)C(N1Cc2cc(N)ccc2N1)n1cncn1.
What is the InChIKey of 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is LSESMZRBUJJHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O/c1-18(27,14-4-2-12(19)7-15(14)20)17(26-10-22-9-23-26)25-8-11-6-13(21)3-5-16(11)24-25/h2-7,9-10,17,24,27H,8,21H2,1H3.
What are the key properties of 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol?
1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 372.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-dihydroindazol-2-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 68644810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).