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

C20H15FN4O4S — CID 118616985

IUPAC2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H15FN4O4S/c1-29-20-16(24-30(27,28)17-5-3-2-4-15(17)21)10-14(11-23-20)13-6-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3
InChIKeyQPYFGBHNBPDOFU-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.70
Rot. Bonds5

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

2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118616985) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118616985
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H15FN4O4S/c1-29-20-16(24-30(27,28)17-5-3-2-4-15(17)21)10-14(11-23-20)13-6-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3
InChIKeyQPYFGBHNBPDOFU-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118616985) is 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QPYFGBHNBPDOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-29-20-16(24-30(27,28)17-5-3-2-4-15(17)21)10-14(11-23-20)13-6-7-18-22-9-8-19(26)25(18)12-13/h2-12,24H,1H3.
What are the key properties of 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
2-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 2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).