1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine

C16H16FN3O2 — CID 58054511

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
SMILESCOc1ccc(Cn2nc(N)c3c(OC)cccc32)cc1F
InChIInChI=1S/C16H16FN3O2/c1-21-13-7-6-10(8-11(13)17)9-20-12-4-3-5-14(22-2)15(12)16(18)19-20/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyPFMNBWVAHZPKKL-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.82
Rot. Bonds4

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine (PubChem CID 58054511) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
PubChem CID58054511
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
SMILESCOc1ccc(Cn2nc(N)c3c(OC)cccc32)cc1F
InChIInChI=1S/C16H16FN3O2/c1-21-13-7-6-10(8-11(13)17)9-20-12-4-3-5-14(22-2)15(12)16(18)19-20/h3-8H,9H2,1-2H3,(H2,18,19)
InChIKeyPFMNBWVAHZPKKL-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
[1-[[3-[(3-amino-4-methoxyindazol-1-yl)methyl]phenyl]methylamino]-2-methyl-1-oxopropan-2-yl] acetate
CID 66583145
5-bromo-1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole
CID 83666011
3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 18098618
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazol-2-amine
CID 65096444
2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511335
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 3666189
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 112787945
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62950536
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
CID 58054493

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine (CID 58054511) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine is COc1ccc(Cn2nc(N)c3c(OC)cccc32)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine?
The InChIKey is PFMNBWVAHZPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-21-13-7-6-10(8-11(13)17)9-20-12-4-3-5-14(22-2)15(12)16(18)19-20/h3-8H,9H2,1-2H3,(H2,18,19).
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine has a molecular weight of 301.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine is sourced from PubChem (CID 58054511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).