3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide

C25H35N7O4S — CID 135134432

IUPAC3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)CO)cc1-c1cnc(N)c(-c2cnn(CCN3CCOCC3)c2)n1
InChIInChI=1S/C25H35N7O4S/c1-18(17-33)5-6-29-37(34,35)21-4-3-19(2)22(13-21)23-15-27-25(26)24(30-23)20-14-28-32(16-20)8-7-31-9-11-36-12-10-31/h3-4,13-16,18,29,33H,5-12,17H2,1-2H3,(H2,26,27)
InChIKeyUCTIMKXPCDMWEC-UHFFFAOYSA-N
MW529.67 g/mol
LogP1.53
Rot. Bonds11

About 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide

3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide (PubChem CID 135134432) has the molecular formula C25H35N7O4S and a molecular weight of 529.67 g/mol. Its IUPAC name is 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
PubChem CID135134432
Molecular FormulaC25H35N7O4S
Molecular Weight529.67 g/mol
Exact Mass529.25
IUPAC Name3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)CO)cc1-c1cnc(N)c(-c2cnn(CCN3CCOCC3)c2)n1
InChIInChI=1S/C25H35N7O4S/c1-18(17-33)5-6-29-37(34,35)21-4-3-19(2)22(13-21)23-15-27-25(26)24(30-23)20-14-28-32(16-20)8-7-31-9-11-36-12-10-31/h3-4,13-16,18,29,33H,5-12,17H2,1-2H3,(H2,26,27)
InChIKeyUCTIMKXPCDMWEC-UHFFFAOYSA-N
XLogP1.53
TPSA148.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.67
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide 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 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide (CID 135134432) is 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(C)CO)cc1-c1cnc(N)c(-c2cnn(CCN3CCOCC3)c2)n1.
What is the InChIKey of 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide?
The InChIKey is UCTIMKXPCDMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O4S/c1-18(17-33)5-6-29-37(34,35)21-4-3-19(2)22(13-21)23-15-27-25(26)24(30-23)20-14-28-32(16-20)8-7-31-9-11-36-12-10-31/h3-4,13-16,18,29,33H,5-12,17H2,1-2H3,(H2,26,27).
What are the key properties of 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide?
3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide has a molecular weight of 529.67 g/mol, XLogP of 1.53, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazin-2-yl]-N-(4-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 135134432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).