N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide

C19H20N4OS — CID 56676999

IUPACN-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNC3)ccc12
InChIInChI=1S/C19H20N4OS/c1-25-19-16-8-7-14(21-18(24)13-9-10-20-12-13)11-17(16)23(22-19)15-5-3-2-4-6-15/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,24)
InChIKeyFKDWBTOUGABYNU-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.30
Rot. Bonds4

About N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide

N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide (PubChem CID 56676999) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide
PubChem CID56676999
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide
SMILESCSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNC3)ccc12
InChIInChI=1S/C19H20N4OS/c1-25-19-16-8-7-14(21-18(24)13-9-10-20-12-13)11-17(16)23(22-19)15-5-3-2-4-6-15/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,24)
InChIKeyFKDWBTOUGABYNU-UHFFFAOYSA-N
XLogP3.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-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 N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide (CID 56676999) is N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide is CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNC3)ccc12.
What is the InChIKey of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is FKDWBTOUGABYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-25-19-16-8-7-14(21-18(24)13-9-10-20-12-13)11-17(16)23(22-19)15-5-3-2-4-6-15/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide?
N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1-phenylindazol-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56676999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).