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

C20H15FN4O4S — CID 118616927

IUPAC4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O4S/c1-29-20-17(24-30(27,28)16-5-3-15(21)4-6-16)10-14(11-23-20)13-2-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3
InChIKeyVSAKAZVKHMWOPT-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.70
Rot. Bonds5

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

4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118616927) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118616927
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H15FN4O4S/c1-29-20-17(24-30(27,28)16-5-3-15(21)4-6-16)10-14(11-23-20)13-2-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3
InChIKeyVSAKAZVKHMWOPT-UHFFFAOYSA-N
XLogP2.70
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

PI3K/mTOR Inhibitor-2
CID 118616775
(2S)-1-N-[7-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]pyrrolidine-1,2-dicarboxamide
CID 156017362
N-[5-(7-amino-1-cyclopropyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76317570
N-[5-(7-amino-1-cyclopentyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 76324910
N-[5-(7-amino-1-cyclopentyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 76324911
N-[5-(7-amino-1-cyclopentyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 76324912
N-[5-(7-amino-1-cyclopentyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76332161
4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616331
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616923
3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616951
2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616958
2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616985

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118616927) is 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VSAKAZVKHMWOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-29-20-17(24-30(27,28)16-5-3-15(21)4-6-16)10-14(11-23-20)13-2-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3.
What are the key properties of 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 426.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).