N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine

C27H21ClFN3O2 — CID 163234145

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine
SMILESCOc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(OCc4ccccc4)c3)c2)cc1Cl
InChIInChI=1S/C27H21ClFN3O2/c1-33-26-12-8-21(14-23(26)28)31-20-7-11-25-19(13-20)16-30-32(25)22-9-10-24(29)27(15-22)34-17-18-5-3-2-4-6-18/h2-16,31H,17H2,1H3
InChIKeyRRPZXLPZXGDGSE-UHFFFAOYSA-N
MW473.94 g/mol
LogP7.15
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine

N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine (PubChem CID 163234145) has the molecular formula C27H21ClFN3O2 and a molecular weight of 473.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine
PubChem CID163234145
Molecular FormulaC27H21ClFN3O2
Molecular Weight473.94 g/mol
Exact Mass473.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine
SMILESCOc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(OCc4ccccc4)c3)c2)cc1Cl
InChIInChI=1S/C27H21ClFN3O2/c1-33-26-12-8-21(14-23(26)28)31-20-7-11-25-19(13-20)16-30-32(25)22-9-10-24(29)27(15-22)34-17-18-5-3-2-4-6-18/h2-16,31H,17H2,1H3
InChIKeyRRPZXLPZXGDGSE-UHFFFAOYSA-N
XLogP7.15
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.94
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine (CID 163234145) is N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine is COc1ccc(Nc2ccc3c(cnn3-c3ccc(F)c(OCc4ccccc4)c3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine?
The InChIKey is RRPZXLPZXGDGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN3O2/c1-33-26-12-8-21(14-23(26)28)31-20-7-11-25-19(13-20)16-30-32(25)22-9-10-24(29)27(15-22)34-17-18-5-3-2-4-6-18/h2-16,31H,17H2,1H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine?
N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine has a molecular weight of 473.94 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-fluoro-3-phenylmethoxyphenyl)indazol-5-amine is sourced from PubChem (CID 163234145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).