N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide

C19H13ClFN5O4S — CID 171812941

IUPACN-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2nc1S(=O)(=O)Nc1cnc(-c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C19H13ClFN5O4S/c1-9-6-14-16(24-18(28)17(27)23-14)25-19(9)31(29,30)26-12-7-13(20)15(22-8-12)10-2-4-11(21)5-3-10/h2-8,26H,1H3,(H,23,27)(H,24,25,28)
InChIKeyHEZGBQUKNMCSPH-UHFFFAOYSA-N
MW461.86 g/mol
LogP2.58
Rot. Bonds4

About N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide

N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide (PubChem CID 171812941) has the molecular formula C19H13ClFN5O4S and a molecular weight of 461.86 g/mol. Its IUPAC name is N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
PubChem CID171812941
Molecular FormulaC19H13ClFN5O4S
Molecular Weight461.86 g/mol
Exact Mass461.04
IUPAC NameN-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2nc1S(=O)(=O)Nc1cnc(-c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C19H13ClFN5O4S/c1-9-6-14-16(24-18(28)17(27)23-14)25-19(9)31(29,30)26-12-7-13(20)15(22-8-12)10-2-4-11(21)5-3-10/h2-8,26H,1H3,(H,23,27)(H,24,25,28)
InChIKeyHEZGBQUKNMCSPH-UHFFFAOYSA-N
XLogP2.58
TPSA137.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.86
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
CID 171812906
N-[3-chloro-4-(2-methyl-1,3-benzoxazol-5-yl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
CID 174257714
N-[3-chloro-4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464103
N-[3-chloro-4-(2-methylquinolin-6-yl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306517
N-[4-(2H-benzotriazol-5-yl)-3-chlorophenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 176883734
4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
CID 110428026
N-[3-chloro-4-(4-methylsulfonylphenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306384
7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 57010179
N-[4-(2-chlorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 172503383
N-[3-chloro-4-(2-fluoro-4-methylsulfonylphenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 176883710
N-(3-chloro-4-thiophen-3-ylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464278
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
The IUPAC name of N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide (CID 171812941) is N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide is Cc1cc2[nH]c(=O)c(=O)[nH]c2nc1S(=O)(=O)Nc1cnc(-c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
The InChIKey is HEZGBQUKNMCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O4S/c1-9-6-14-16(24-18(28)17(27)23-14)25-19(9)31(29,30)26-12-7-13(20)15(22-8-12)10-2-4-11(21)5-3-10/h2-8,26H,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide has a molecular weight of 461.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(4-fluorophenyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide is sourced from PubChem (CID 171812941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).