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

C28H35N5OS — CID 144785702

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

N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide (PubChem CID 144785702) has the molecular formula C28H35N5OS and a molecular weight of 489.69 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
• PubChem CID: 144785702
• Molecular Formula: C28H35N5OS
• Molecular Weight: 489.69 g/mol
• Exact Mass: 489.26
• IUPAC Name: N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
• SMILES: CCSc1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4c(C(C)C)n[nH]c4C)ccc32)cc1
• InChI: InChI=1S/C28H35N5OS/c1-5-35-21-10-8-20(9-11-21)16-29-27(34)33-17-28(14-6-7-15-28)26-23(33)13-12-22(30-26)24-19(4)31-32-25(24)18(2)3/h8-13,18H,5-7,14-17H2,1-4H3,(H,29,34)(H,31,32)
• InChIKey: DVLQKIQAUMPYRZ-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.69
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?

The IUPAC name of N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide (CID 144785702) is N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide.

What is the SMILES notation for N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?

The canonical SMILES for N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide is CCSc1ccc(CNC(=O)N2CC3(CCCC3)c3nc(-c4c(C(C)C)n[nH]c4C)ccc32)cc1.

What is the InChIKey of N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?

The InChIKey is DVLQKIQAUMPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5OS/c1-5-35-21-10-8-20(9-11-21)16-29-27(34)33-17-28(14-6-7-15-28)26-23(33)13-12-22(30-26)24-19(4)31-32-25(24)18(2)3/h8-13,18H,5-7,14-17H2,1-4H3,(H,29,34)(H,31,32).

What are the key properties of N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide?

N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 489.69 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethylsulfanylphenyl)methyl]-5-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 144785702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).