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

C20H14F2N4O4S — CID 118616958

IUPAC2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C20H14F2N4O4S/c1-30-20-16(25-31(28,29)17-9-14(21)3-4-15(17)22)8-13(10-24-20)12-2-5-18-23-7-6-19(27)26(18)11-12/h2-11,25H,1H3
InChIKeyFKSMCAMGSCQLDD-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.84
Rot. Bonds5

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

2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118616958) has the molecular formula C20H14F2N4O4S and a molecular weight of 444.42 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118616958
Molecular FormulaC20H14F2N4O4S
Molecular Weight444.42 g/mol
Exact Mass444.07
IUPAC Name2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C20H14F2N4O4S/c1-30-20-16(25-31(28,29)17-9-14(21)3-4-15(17)22)8-13(10-24-20)12-2-5-18-23-7-6-19(27)26(18)11-12/h2-11,25H,1H3
InChIKeyFKSMCAMGSCQLDD-UHFFFAOYSA-N
XLogP2.84
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-difluoro-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
2,4-difluoro-N-[2-(methyloxy)-5-(4-oxo-3-phenyl-3,4-dihydro-6-quinazolinyl)-3-pyridinyl]benzenesulfonamide
CID 59613739
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
4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616927
3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616951

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118616958) is 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is FKSMCAMGSCQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O4S/c1-30-20-16(25-31(28,29)17-9-14(21)3-4-15(17)22)8-13(10-24-20)12-2-5-18-23-7-6-19(27)26(18)11-12/h2-11,25H,1H3.
What are the key properties of 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 444.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).