N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine

C21H17F2N3O — CID 177378137

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine
SMILESCOc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C21H17F2N3O/c1-27-20-8-5-16(23)10-14(20)12-24-17-6-7-19-18(11-17)21(26-25-19)13-3-2-4-15(22)9-13/h2-11,24H,12H2,1H3,(H,25,26)
InChIKeyMXRQDKCTUKXQTE-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.13
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine

N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine (PubChem CID 177378137) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine
PubChem CID177378137
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine
SMILESCOc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C21H17F2N3O/c1-27-20-8-5-16(23)10-14(20)12-24-17-6-7-19-18(11-17)21(26-25-19)13-3-2-4-15(22)9-13/h2-11,24H,12H2,1H3,(H,25,26)
InChIKeyMXRQDKCTUKXQTE-UHFFFAOYSA-N
XLogP5.13
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-phenyl-1H-indazol-6-amine
CID 10149689
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
N-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599069
4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
CID 168941477
N-(2,2-difluoroethyl)-5-[(5-fluoro-2-methoxyphenyl)methylamino]-1H-indazole-3-carboxamide
CID 172227099
5-[(5-fluoro-2-methoxyphenyl)methylamino]-N-methyl-1H-indazole-3-carboxamide
CID 172227102
5-[[2-(difluoromethoxy)-5-fluorophenyl]methylamino]-N-methyl-1H-indazole-3-carboxamide
CID 172227108
5-[[5-fluoro-2-(2-fluoroethoxy)phenyl]methylamino]-N-methyl-1H-indazole-3-carboxamide
CID 172227118
N-benzyl-2-(5-methoxy-2H-indazol-3-yl)ethanamine
CID 176234795
2-(5-methoxy-2H-indazol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 176234821
2-(4,6-difluoro-2H-indazol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 176234865

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine (CID 177378137) is N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine is COc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine?
The InChIKey is MXRQDKCTUKXQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-27-20-8-5-16(23)10-14(20)12-24-17-6-7-19-18(11-17)21(26-25-19)13-3-2-4-15(22)9-13/h2-11,24H,12H2,1H3,(H,25,26).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine?
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine has a molecular weight of 365.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(3-fluorophenyl)-1H-indazol-5-amine is sourced from PubChem (CID 177378137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).