2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide

C21H17FN4O4S — CID 118617168

IUPAC2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2C)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H17FN4O4S/c1-13-15(7-8-19-23-10-9-20(27)26(13)19)14-11-17(21(30-2)24-12-14)25-31(28,29)18-6-4-3-5-16(18)22/h3-12,25H,1-2H3
InChIKeyDZBYDDDXYWQRCE-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.01
Rot. Bonds5

About 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide

2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118617168) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118617168
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC Name2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2C)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H17FN4O4S/c1-13-15(7-8-19-23-10-9-20(27)26(13)19)14-11-17(21(30-2)24-12-14)25-31(28,29)18-6-4-3-5-16(18)22/h3-12,25H,1-2H3
InChIKeyDZBYDDDXYWQRCE-UHFFFAOYSA-N
XLogP3.01
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-difluoro-N-(2-methoxy-5-pyridin-2-yl-3-pyridinyl)benzenesulfonamide
CID 175876011
2-fluoro-N-[5-[7-fluoro-4-[4-[(E)-4-oxopent-2-enoyl]piperazin-1-yl]quinolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171477
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide
CID 118616941
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73295616
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
2-chloro-4-fluoro-N-[5-(3-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118617169
2,4-difluoro-N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73295615
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 74763475
2,4-difluoro-N-[2-methoxy-5-[2-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-3-pyridinyl]benzenesulfonamide
CID 71531936

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118617168) is 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2C)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is DZBYDDDXYWQRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c1-13-15(7-8-19-23-10-9-20(27)26(13)19)14-11-17(21(30-2)24-12-14)25-31(28,29)18-6-4-3-5-16(18)22/h3-12,25H,1-2H3.
What are the key properties of 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 440.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methoxy-5-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118617168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).