5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide

C26H31N5O3S — CID 90646086

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4c(C)n[nH]c4C)ccc32)cc1
InChIInChI=1S/C26H31N5O3S/c1-4-35(33,34)20-9-7-19(8-10-20)15-27-25(32)31-16-26(13-5-6-14-26)24-22(31)12-11-21(28-24)23-17(2)29-30-18(23)3/h7-12H,4-6,13-16H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyXGRVWOLTLUFKHI-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.42
Rot. Bonds5

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide

5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide (PubChem CID 90646086) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
PubChem CID90646086
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4c(C)n[nH]c4C)ccc32)cc1
InChIInChI=1S/C26H31N5O3S/c1-4-35(33,34)20-9-7-19(8-10-20)15-27-25(32)31-16-26(13-5-6-14-26)24-22(31)12-11-21(28-24)23-17(2)29-30-18(23)3/h7-12H,4-6,13-16H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyXGRVWOLTLUFKHI-UHFFFAOYSA-N
XLogP4.42
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-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 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide (CID 90646086) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4c(C)n[nH]c4C)ccc32)cc1.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is XGRVWOLTLUFKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-4-35(33,34)20-9-7-19(8-10-20)15-27-25(32)31-16-26(13-5-6-14-26)24-22(31)12-11-21(28-24)23-17(2)29-30-18(23)3/h7-12H,4-6,13-16H2,1-3H3,(H,27,32)(H,29,30).
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 90646086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).