[5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

C24H17FN4O2 — CID 118138211

IUPAC[5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C24H17FN4O2/c25-19-13-16(10-11-22(19)31-17-7-2-1-3-8-17)29-24(26)18(14-27-29)23(30)21-12-15-6-4-5-9-20(15)28-21/h1-14,28H,26H2
InChIKeyJVWVEGXHZYOSNY-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.10
Rot. Bonds5

About [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 118138211) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID118138211
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name[5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C24H17FN4O2/c25-19-13-16(10-11-22(19)31-17-7-2-1-3-8-17)29-24(26)18(14-27-29)23(30)21-12-15-6-4-5-9-20(15)28-21/h1-14,28H,26H2
InChIKeyJVWVEGXHZYOSNY-UHFFFAOYSA-N
XLogP5.10
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone 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 [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 118138211) is [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is JVWVEGXHZYOSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c25-19-13-16(10-11-22(19)31-17-7-2-1-3-8-17)29-24(26)18(14-27-29)23(30)21-12-15-6-4-5-9-20(15)28-21/h1-14,28H,26H2.
What are the key properties of [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 412.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3-fluoro-4-phenoxyphenyl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 118138211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).