6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine

C15H14FN3O — CID 164621773

IUPAC6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
SMILESCOc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C15H14FN3O/c1-20-12-5-2-10(3-6-12)9-17-15-13-7-4-11(16)8-14(13)18-19-15/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyROVPZUBYVUQQES-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.32
Rot. Bonds4

About 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine

6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine (PubChem CID 164621773) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
PubChem CID164621773
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
SMILESCOc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C15H14FN3O/c1-20-12-5-2-10(3-6-12)9-17-15-13-7-4-11(16)8-14(13)18-19-15/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyROVPZUBYVUQQES-UHFFFAOYSA-N
XLogP3.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-({[4-(4-fluorophenoxy)-1H-indazol-3-yl]amino}methyl)phenyl]acetamide
CID 11269297
N-[(2,5-dimethoxyphenyl)methyl]-4-phenoxy-1H-indazol-3-amine
CID 11463002
N-(2,5-dimethoxybenzyl)-4-[4-fluorophenoxy]-1H-indazol-3-amine
CID 11486202
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-5-methoxy-1H-indazol-3-amine
CID 11531010
1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 25197926
N-(1-(2-fluoro-4-methoxybenzyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405412
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-1H-indazol-3-amine
CID 44405517
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
CID 53320511
N-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxy-1H-indazol-3-amine;hydrochloride
CID 53323134
N-(3,4-difluorophenyl)-6-(trifluoromethoxy)-1H-indazol-3-amine
CID 137635177
3-amino-N-[3-[(4-methoxyphenyl)methylamino]-1H-indazol-5-yl]cyclohexane-1-carboxamide
CID 145959412
N-(3,5-dimethoxyphenyl)-6-methoxy-1H-indazol-3-amine
CID 162654743

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
The IUPAC name of 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine (CID 164621773) is 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
The canonical SMILES for 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine is COc1ccc(CNc2n[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
The InChIKey is ROVPZUBYVUQQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-20-12-5-2-10(3-6-12)9-17-15-13-7-4-11(16)8-14(13)18-19-15/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine?
6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine has a molecular weight of 271.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine is sourced from PubChem (CID 164621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).