N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide

C28H30N8O6S — CID 176511511

IUPACN-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCOc1cc2c(NS(=O)(=O)c3c(OC)cc(-c4cnc(N(C)C)cn4)cc3OC)noc2cc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C28H30N8O6S/c1-36(2)26-14-29-20(13-30-26)16-8-23(40-4)27(24(9-16)41-5)43(37,38)35-28-17-10-22(39-3)19(11-21(17)42-34-28)31-25-12-18(32-33-25)15-6-7-15/h8-15H,6-7H2,1-5H3,(H,34,35)(H2,31,32,33)
InChIKeyYJLZRPPGECWHJW-UHFFFAOYSA-N
MW606.67 g/mol
LogP4.52
Rot. Bonds11

About N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide

N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide (PubChem CID 176511511) has the molecular formula C28H30N8O6S and a molecular weight of 606.67 g/mol. Its IUPAC name is N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide
PubChem CID176511511
Molecular FormulaC28H30N8O6S
Molecular Weight606.67 g/mol
Exact Mass606.20
IUPAC NameN-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCOc1cc2c(NS(=O)(=O)c3c(OC)cc(-c4cnc(N(C)C)cn4)cc3OC)noc2cc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C28H30N8O6S/c1-36(2)26-14-29-20(13-30-26)16-8-23(40-4)27(24(9-16)41-5)43(37,38)35-28-17-10-22(39-3)19(11-21(17)42-34-28)31-25-12-18(32-33-25)15-6-7-15/h8-15H,6-7H2,1-5H3,(H,34,35)(H2,31,32,33)
InChIKeyYJLZRPPGECWHJW-UHFFFAOYSA-N
XLogP4.52
TPSA169.62 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide 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 N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide?
The IUPAC name of N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide (CID 176511511) is N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide is COc1cc2c(NS(=O)(=O)c3c(OC)cc(-c4cnc(N(C)C)cn4)cc3OC)noc2cc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide?
The InChIKey is YJLZRPPGECWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O6S/c1-36(2)26-14-29-20(13-30-26)16-8-23(40-4)27(24(9-16)41-5)43(37,38)35-28-17-10-22(39-3)19(11-21(17)42-34-28)31-25-12-18(32-33-25)15-6-7-15/h8-15H,6-7H2,1-5H3,(H,34,35)(H2,31,32,33).
What are the key properties of N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide?
N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide has a molecular weight of 606.67 g/mol, XLogP of 4.52, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methoxy-1,2-benzoxazol-3-yl]-4-[5-(dimethylamino)pyrazin-2-yl]-2,6-dimethoxybenzenesulfonamide is sourced from PubChem (CID 176511511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).