3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide

C30H27FN4O3S — CID 139465044

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
SMILESCc1cc(C)n(-c2cccc(-c3cn(-c4ccc(F)cc4)c4cc(C(=O)NC5CCS(=O)(=O)C5)ccc34)c2)n1
InChIInChI=1S/C30H27FN4O3S/c1-19-14-20(2)35(33-19)26-5-3-4-21(15-26)28-17-34(25-9-7-23(31)8-10-25)29-16-22(6-11-27(28)29)30(36)32-24-12-13-39(37,38)18-24/h3-11,14-17,24H,12-13,18H2,1-2H3,(H,32,36)
InChIKeyJWZNNUQBXCIQSN-UHFFFAOYSA-N
MW542.64 g/mol
LogP5.16
Rot. Bonds5

About 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide

3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide (PubChem CID 139465044) has the molecular formula C30H27FN4O3S and a molecular weight of 542.64 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
PubChem CID139465044
Molecular FormulaC30H27FN4O3S
Molecular Weight542.64 g/mol
Exact Mass542.18
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
SMILESCc1cc(C)n(-c2cccc(-c3cn(-c4ccc(F)cc4)c4cc(C(=O)NC5CCS(=O)(=O)C5)ccc34)c2)n1
InChIInChI=1S/C30H27FN4O3S/c1-19-14-20(2)35(33-19)26-5-3-4-21(15-26)28-17-34(25-9-7-23(31)8-10-25)29-16-22(6-11-27(28)29)30(36)32-24-12-13-39(37,38)18-24/h3-11,14-17,24H,12-13,18H2,1-2H3,(H,32,36)
InChIKeyJWZNNUQBXCIQSN-UHFFFAOYSA-N
XLogP5.16
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide 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 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide (CID 139465044) is 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide is Cc1cc(C)n(-c2cccc(-c3cn(-c4ccc(F)cc4)c4cc(C(=O)NC5CCS(=O)(=O)C5)ccc34)c2)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The InChIKey is JWZNNUQBXCIQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O3S/c1-19-14-20(2)35(33-19)26-5-3-4-21(15-26)28-17-34(25-9-7-23(31)8-10-25)29-16-22(6-11-27(28)29)30(36)32-24-12-13-39(37,38)18-24/h3-11,14-17,24H,12-13,18H2,1-2H3,(H,32,36).
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide is sourced from PubChem (CID 139465044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).