7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide

C30H38N6O4S — CID 176791866

IUPAC7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)nc(N3CCC4(CC4)C3)c21
InChIInChI=1S/C30H38N6O4S/c1-34-12-4-21-18-24(31-27(26(21)34)36-15-11-30(20-36)7-8-30)28(38)32-23-3-2-22(33-41(39,40)17-16-37)19-25(23)35-13-9-29(5-6-29)10-14-35/h2-4,12,18-19,33,37H,5-11,13-17,20H2,1H3,(H,32,38)
InChIKeyAQXUVZMBHUVNSA-UHFFFAOYSA-N
MW578.74 g/mol
LogP3.93
Rot. Bonds8

About 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide

7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 176791866) has the molecular formula C30H38N6O4S and a molecular weight of 578.74 g/mol. Its IUPAC name is 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID176791866
Molecular FormulaC30H38N6O4S
Molecular Weight578.74 g/mol
Exact Mass578.27
IUPAC Name7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCn1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)nc(N3CCC4(CC4)C3)c21
InChIInChI=1S/C30H38N6O4S/c1-34-12-4-21-18-24(31-27(26(21)34)36-15-11-30(20-36)7-8-30)28(38)32-23-3-2-22(33-41(39,40)17-16-37)19-25(23)35-13-9-29(5-6-29)10-14-35/h2-4,12,18-19,33,37H,5-11,13-17,20H2,1H3,(H,32,38)
InChIKeyAQXUVZMBHUVNSA-UHFFFAOYSA-N
XLogP3.93
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.74
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-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 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 176791866) is 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide is Cn1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)nc(N3CCC4(CC4)C3)c21.
What is the InChIKey of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is AQXUVZMBHUVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4S/c1-34-12-4-21-18-24(31-27(26(21)34)36-15-11-30(20-36)7-8-30)28(38)32-23-3-2-22(33-41(39,40)17-16-37)19-25(23)35-13-9-29(5-6-29)10-14-35/h2-4,12,18-19,33,37H,5-11,13-17,20H2,1H3,(H,32,38).
What are the key properties of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide?
7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 578.74 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 176791866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).