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

C20H15FN4O4S — CID 118616951

IUPAC3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C20H15FN4O4S/c1-29-20-17(24-30(27,28)16-4-2-3-15(21)10-16)9-14(11-23-20)13-5-6-18-22-8-7-19(26)25(18)12-13/h2-12,24H,1H3
InChIKeyKXLQZKHNLLVQRZ-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.70
Rot. Bonds5

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

3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 118616951) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID118616951
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C20H15FN4O4S/c1-29-20-17(24-30(27,28)16-4-2-3-15(21)10-16)9-14(11-23-20)13-5-6-18-22-8-7-19(26)25(18)12-13/h2-12,24H,1H3
InChIKeyKXLQZKHNLLVQRZ-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 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 118616951) is 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KXLQZKHNLLVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-29-20-17(24-30(27,28)16-4-2-3-15(21)10-16)9-14(11-23-20)13-5-6-18-22-8-7-19(26)25(18)12-13/h2-12,24H,1H3.
What are the key properties of 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide?
3-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 3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).