N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide

C23H18ClN5O3S — CID 155006874

IUPACN-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide
SMILESCc1cc(-c2nc3ccc(=O)[nH]c3nc2-c2cccc(C#N)c2C)cc(Cl)c1NS(C)(=O)=O
InChIInChI=1S/C23H18ClN5O3S/c1-12-9-15(10-17(24)20(12)29-33(3,31)32)21-22(16-6-4-5-14(11-25)13(16)2)28-23-18(26-21)7-8-19(30)27-23/h4-10,29H,1-3H3,(H,27,28,30)
InChIKeyRIDHLRFDPQUAMU-UHFFFAOYSA-N
MW479.95 g/mol
LogP4.17
Rot. Bonds4

About N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide

N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide (PubChem CID 155006874) has the molecular formula C23H18ClN5O3S and a molecular weight of 479.95 g/mol. Its IUPAC name is N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide
PubChem CID155006874
Molecular FormulaC23H18ClN5O3S
Molecular Weight479.95 g/mol
Exact Mass479.08
IUPAC NameN-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide
SMILESCc1cc(-c2nc3ccc(=O)[nH]c3nc2-c2cccc(C#N)c2C)cc(Cl)c1NS(C)(=O)=O
InChIInChI=1S/C23H18ClN5O3S/c1-12-9-15(10-17(24)20(12)29-33(3,31)32)21-22(16-6-4-5-14(11-25)13(16)2)28-23-18(26-21)7-8-19(30)27-23/h4-10,29H,1-3H3,(H,27,28,30)
InChIKeyRIDHLRFDPQUAMU-UHFFFAOYSA-N
XLogP4.17
TPSA128.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(1,3-benzoxazol-6-yl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154657301
N-[2-chloro-4-(6-oxo-3-phenyl-5H-pyrido[2,3-b]pyrazin-2-yl)phenyl]methanesulfonamide
CID 154656476
N-[2-chloro-6-methyl-4-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)phenyl]methanesulfonamide
CID 154604954
3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154656504
3-[2-(7-chloro-2,3-dihydro-1,2-benzothiazol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154657423
3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154656600
2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-1-benzothiophene-5-carbonitrile
CID 154656435
2-(8-chloro-4-methylquinolin-6-yl)-3-pyridin-4-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657201
3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile
CID 154656650
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
2-(3-fluoro-2,6-dimethyl-4-pyridinyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657372
2-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzonitrile
CID 122656537

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide (CID 155006874) is N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide is Cc1cc(-c2nc3ccc(=O)[nH]c3nc2-c2cccc(C#N)c2C)cc(Cl)c1NS(C)(=O)=O.
What is the InChIKey of N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide?
The InChIKey is RIDHLRFDPQUAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3S/c1-12-9-15(10-17(24)20(12)29-33(3,31)32)21-22(16-6-4-5-14(11-25)13(16)2)28-23-18(26-21)7-8-19(30)27-23/h4-10,29H,1-3H3,(H,27,28,30).
What are the key properties of N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide?
N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide has a molecular weight of 479.95 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[3-(3-cyano-2-methylphenyl)-6-oxo-5H-pyrido[2,3-b]pyrazin-2-yl]-6-methylphenyl]methanesulfonamide is sourced from PubChem (CID 155006874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).