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

C29H18ClF3N6O3S — CID 154657605

IUPACN-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C29H18ClF3N6O3S/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)39-43(41,42)15-16-8-9-23(35-14-16)29(31,32)33/h1-14,39H,15H2,(H,37,38,40)
InChIKeyGOANRYTWBRTJIN-UHFFFAOYSA-N
MW623.02 g/mol
LogP6.21
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]methanesulfonamide

N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (PubChem CID 154657605) has the molecular formula C29H18ClF3N6O3S and a molecular weight of 623.02 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]methanesulfonamide.

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]methanesulfonamide
PubChem CID154657605
Molecular FormulaC29H18ClF3N6O3S
Molecular Weight623.02 g/mol
Exact Mass622.08
IUPAC NameN-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
SMILESO=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C29H18ClF3N6O3S/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)39-43(41,42)15-16-8-9-23(35-14-16)29(31,32)33/h1-14,39H,15H2,(H,37,38,40)
InChIKeyGOANRYTWBRTJIN-UHFFFAOYSA-N
XLogP6.21
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.02
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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]methanesulfonamide?
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]methanesulfonamide (CID 154657605) is N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.
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]methanesulfonamide?
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]methanesulfonamide is O=c1[nH]c2nc(-c3ccccc3)c(-c3cc(Cl)c4ncccc4c3)nc2cc1NS(=O)(=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]methanesulfonamide?
The InChIKey is GOANRYTWBRTJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClF3N6O3S/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)39-43(41,42)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]methanesulfonamide?
N-[2-(8-chloroquinolin-6-yl)-6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-7-yl]-1-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide has a molecular weight of 623.02 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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]methanesulfonamide is sourced from PubChem (CID 154657605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).