N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine

C20H15F2N3O — CID 16754233

IUPACN,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine
SMILESCOc1cccc2c(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H15F2N3O/c1-26-18-4-2-3-17-19(18)24-25(16-11-7-14(22)8-12-16)20(17)23-15-9-5-13(21)6-10-15/h2-12,23H,1H3
InChIKeyMGGGYSZWMORMNH-UHFFFAOYSA-N
MW351.36 g/mol
LogP5.06
Rot. Bonds4

About N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine

N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine (PubChem CID 16754233) has the molecular formula C20H15F2N3O and a molecular weight of 351.36 g/mol. Its IUPAC name is N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine.

Molecular Properties

Compound NameN,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine
PubChem CID16754233
Molecular FormulaC20H15F2N3O
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine
SMILESCOc1cccc2c(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H15F2N3O/c1-26-18-4-2-3-17-19(18)24-25(16-11-7-14(22)8-12-16)20(17)23-15-9-5-13(21)6-10-15/h2-12,23H,1H3
InChIKeyMGGGYSZWMORMNH-UHFFFAOYSA-N
XLogP5.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine?
The IUPAC name of N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine (CID 16754233) is N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine.
What is the SMILES notation for N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine?
The canonical SMILES for N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine is COc1cccc2c(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)nc12.
What is the InChIKey of N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine?
The InChIKey is MGGGYSZWMORMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O/c1-26-18-4-2-3-17-19(18)24-25(16-11-7-14(22)8-12-16)20(17)23-15-9-5-13(21)6-10-15/h2-12,23H,1H3.
What are the key properties of N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine?
N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine has a molecular weight of 351.36 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-fluorophenyl)-7-methoxyindazol-3-amine is sourced from PubChem (CID 16754233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).