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

C20H16N4O4S — CID 118616923

IUPACN-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16N4O4S/c1-28-20-17(23-29(26,27)16-5-3-2-4-6-16)11-15(12-22-20)14-7-8-18-21-10-9-19(25)24(18)13-14/h2-13,23H,1H3
InChIKeyWPTBSQRDUCGUSP-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.57
Rot. Bonds5

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

N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118616923) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118616923
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC NameN-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16N4O4S/c1-28-20-17(23-29(26,27)16-5-3-2-4-6-16)11-15(12-22-20)14-7-8-18-21-10-9-19(25)24(18)13-14/h2-13,23H,1H3
InChIKeyWPTBSQRDUCGUSP-UHFFFAOYSA-N
XLogP2.57
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

PI3K/mTOR Inhibitor-2
CID 118616775
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
CID 155534269
(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-cyclopentyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 76335785
4-methoxy-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616331
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
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
4-cyano-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118617088
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)pyridin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 118617093
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 118617094

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118616923) is N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is WPTBSQRDUCGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-28-20-17(23-29(26,27)16-5-3-2-4-6-16)11-15(12-22-20)14-7-8-18-21-10-9-19(25)24(18)13-14/h2-13,23H,1H3.
What are the key properties of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).