N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide

C29H18ClF3N6O2S — CID 154656706

IUPACN-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1NS(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C29H18ClF3N6O2S/c30-20-12-19(11-18-7-4-10-34-24(18)20)26-25(17-5-2-1-3-6-17)37-27-21(36-26)13-22(28(40)38-27)39-42(41)15-16-8-9-23(35-14-16)29(31,32)33/h1-14,39H,15H2,(H,37,38,40)
InChIKeyOPRAQQIIFYVOED-UHFFFAOYSA-N
MW607.02 g/mol
LogP6.54
Rot. Bonds6

About N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide

N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide (PubChem CID 154656706) has the molecular formula C29H18ClF3N6O2S and a molecular weight of 607.02 g/mol. Its IUPAC name is N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide.

Molecular Properties

Compound NameN-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide
PubChem CID154656706
Molecular FormulaC29H18ClF3N6O2S
Molecular Weight607.02 g/mol
Exact Mass606.09
IUPAC NameN-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1NS(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C29H18ClF3N6O2S/c30-20-12-19(11-18-7-4-10-34-24(18)20)26-25(17-5-2-1-3-6-17)37-27-21(36-26)13-22(28(40)38-27)39-42(41)15-16-8-9-23(35-14-16)29(31,32)33/h1-14,39H,15H2,(H,37,38,40)
InChIKeyOPRAQQIIFYVOED-UHFFFAOYSA-N
XLogP6.54
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.02
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide 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-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide?
The IUPAC name of N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide (CID 154656706) is N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide.
What is the SMILES notation for N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide?
The canonical SMILES for N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1NS(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide?
The InChIKey is OPRAQQIIFYVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClF3N6O2S/c30-20-12-19(11-18-7-4-10-34-24(18)20)26-25(17-5-2-1-3-6-17)37-27-21(36-26)13-22(28(40)38-27)39-42(41)15-16-8-9-23(35-14-16)29(31,32)33/h1-14,39H,15H2,(H,37,38,40).
What are the key properties of N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide?
N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide has a molecular weight of 607.02 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfinamide is sourced from PubChem (CID 154656706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).