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

C27H31N5OS — CID 144785694

IUPAC5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
SMILESCCSc1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4ncc(C)nc4C)ccc32)cc1
InChIInChI=1S/C27H31N5OS/c1-4-34-21-9-7-20(8-10-21)16-29-26(33)32-17-27(13-5-6-14-27)25-23(32)12-11-22(31-25)24-19(3)30-18(2)15-28-24/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,29,33)
InChIKeyPOCKHVXNKRJYRD-UHFFFAOYSA-N
MW473.65 g/mol
LogP5.81
Rot. Bonds5

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

5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide (PubChem CID 144785694) has the molecular formula C27H31N5OS and a molecular weight of 473.65 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
PubChem CID144785694
Molecular FormulaC27H31N5OS
Molecular Weight473.65 g/mol
Exact Mass473.22
IUPAC Name5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
SMILESCCSc1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4ncc(C)nc4C)ccc32)cc1
InChIInChI=1S/C27H31N5OS/c1-4-34-21-9-7-20(8-10-21)16-29-26(33)32-17-27(13-5-6-14-27)25-23(32)12-11-22(31-25)24-19(3)30-18(2)15-28-24/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,29,33)
InChIKeyPOCKHVXNKRJYRD-UHFFFAOYSA-N
XLogP5.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.65
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)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-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide (CID 144785694) is 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide is CCSc1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4ncc(C)nc4C)ccc32)cc1.
What is the InChIKey of 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is POCKHVXNKRJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5OS/c1-4-34-21-9-7-20(8-10-21)16-29-26(33)32-17-27(13-5-6-14-27)25-23(32)12-11-22(31-25)24-19(3)30-18(2)15-28-24/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,29,33).
What are the key properties of 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?
5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 473.65 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazin-2-yl)-N-[(4-ethylsulfanylphenyl)methyl]spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 144785694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).