1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol

C23H22F2N4O — CID 151196257

IUPAC1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
SMILESNCN(CC(O)(CF)c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H22F2N4O/c24-14-23(30,15-28(16-26)20-4-2-1-3-5-20)18-6-11-22-17(12-18)13-27-29(22)21-9-7-19(25)8-10-21/h1-13,30H,14-16,26H2
InChIKeyNHJFKCQMQLHBRT-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.74
Rot. Bonds7

About 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol

1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol (PubChem CID 151196257) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
PubChem CID151196257
Molecular FormulaC23H22F2N4O
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
SMILESNCN(CC(O)(CF)c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C23H22F2N4O/c24-14-23(30,15-28(16-26)20-4-2-1-3-5-20)18-6-11-22-17(12-18)13-27-29(22)21-9-7-19(25)8-10-21/h1-13,30H,14-16,26H2
InChIKeyNHJFKCQMQLHBRT-UHFFFAOYSA-N
XLogP3.74
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
CID 150429566
1-fluoro-3-(4-methoxyphenyl)sulfanyl-2-(1-phenylindazol-5-yl)propan-2-ol
CID 151959863
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-4-yl)ethanol
CID 174540095
2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
CID 150261735
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 150915440
1-fluoro-1-(7-fluoroindol-1-yl)-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 174540080
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980495

Frequently Asked Questions

What is the IUPAC name of 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
The IUPAC name of 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol (CID 151196257) is 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol is NCN(CC(O)(CF)c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
The InChIKey is NHJFKCQMQLHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c24-14-23(30,15-28(16-26)20-4-2-1-3-5-20)18-6-11-22-17(12-18)13-27-29(22)21-9-7-19(25)8-10-21/h1-13,30H,14-16,26H2.
What are the key properties of 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol?
1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol has a molecular weight of 408.45 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol is sourced from PubChem (CID 151196257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).