1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol

C22H19F2N3O — CID 150429566

IUPAC1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
SMILESNC(F)C(O)(Cc1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C22H19F2N3O/c23-18-7-9-19(10-8-18)27-20-11-6-17(12-16(20)14-26-27)22(28,21(24)25)13-15-4-2-1-3-5-15/h1-12,14,21,28H,13,25H2
InChIKeyHJMRCWTXAVAPRG-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.85
Rot. Bonds5

About 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol

1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol (PubChem CID 150429566) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
PubChem CID150429566
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
SMILESNC(F)C(O)(Cc1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C22H19F2N3O/c23-18-7-9-19(10-8-18)27-20-11-6-17(12-16(20)14-26-27)22(28,21(24)25)13-15-4-2-1-3-5-15/h1-12,14,21,28H,13,25H2
InChIKeyHJMRCWTXAVAPRG-UHFFFAOYSA-N
XLogP3.85
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)indazol-5-amine
CID 59235727
1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 151196257
N-benzyl-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanamine
CID 59437304
1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-1-(2,4,6-trifluoroanilino)propan-2-ol
CID 174540103
1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 174540080
(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylbutan-2-amine
CID 59339729
1,1,3-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 87725211
1-phenylindazol-5-amine
CID 83414114
1-[4-(trifluoromethyl)phenyl]indazol-5-amine
CID 83414547
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
cyclobutane;1-(3-methylphenyl)-2-(1-phenylindazol-5-yl)propan-2-ol
CID 143372409
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol?
The IUPAC name of 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol (CID 150429566) is 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol?
The canonical SMILES for 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol is NC(F)C(O)(Cc1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol?
The InChIKey is HJMRCWTXAVAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c23-18-7-9-19(10-8-18)27-20-11-6-17(12-16(20)14-26-27)22(28,21(24)25)13-15-4-2-1-3-5-15/h1-12,14,21,28H,13,25H2.
What are the key properties of 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol?
1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol has a molecular weight of 379.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 150429566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).