7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

C27H18ClN5O3S — CID 155006886

IUPAC7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C27H18ClN5O3S/c28-21-12-17(11-18-14-29-33-23(18)21)25-24(16-7-3-1-4-8-16)31-26-22(30-25)13-19(27(34)32-26)15-37(35,36)20-9-5-2-6-10-20/h1-14H,15H2,(H,29,33)(H,31,32,34)
InChIKeySLCREWXBWNUYMG-UHFFFAOYSA-N
MW527.99 g/mol
LogP5.16
Rot. Bonds5

About 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one

7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 155006886) has the molecular formula C27H18ClN5O3S and a molecular weight of 527.99 g/mol. Its IUPAC name is 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID155006886
Molecular FormulaC27H18ClN5O3S
Molecular Weight527.99 g/mol
Exact Mass527.08
IUPAC Name7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C27H18ClN5O3S/c28-21-12-17(11-18-14-29-33-23(18)21)25-24(16-7-3-1-4-8-16)31-26-22(30-25)13-19(27(34)32-26)15-37(35,36)20-9-5-2-6-10-20/h1-14H,15H2,(H,29,33)(H,31,32,34)
InChIKeySLCREWXBWNUYMG-UHFFFAOYSA-N
XLogP5.16
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.99
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one 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-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one (CID 155006886) is 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2cc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is SLCREWXBWNUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN5O3S/c28-21-12-17(11-18-14-29-33-23(18)21)25-24(16-7-3-1-4-8-16)31-26-22(30-25)13-19(27(34)32-26)15-37(35,36)20-9-5-2-6-10-20/h1-14H,15H2,(H,29,33)(H,31,32,34).
What are the key properties of 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one?
7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 527.99 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 155006886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).