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

C21H15F3N4O4S — CID 118617093

IUPACN-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O4S/c1-32-20-17(27-33(30,31)16-5-3-15(4-6-16)21(22,23)24)10-14(11-26-20)13-2-7-18-25-9-8-19(29)28(18)12-13/h2-12,27H,1H3
InChIKeyQKQDHYKDZGGYGA-UHFFFAOYSA-N
MW476.44 g/mol
LogP3.58
Rot. Bonds5

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

N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 118617093) has the molecular formula C21H15F3N4O4S and a molecular weight of 476.44 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID118617093
Molecular FormulaC21H15F3N4O4S
Molecular Weight476.44 g/mol
Exact Mass476.08
IUPAC NameN-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O4S/c1-32-20-17(27-33(30,31)16-5-3-15(4-6-16)21(22,23)24)10-14(11-26-20)13-2-7-18-25-9-8-19(29)28(18)12-13/h2-12,27H,1H3
InChIKeyQKQDHYKDZGGYGA-UHFFFAOYSA-N
XLogP3.58
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)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 N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide (CID 118617093) is N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide is COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QKQDHYKDZGGYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4S/c1-32-20-17(27-33(30,31)16-5-3-15(4-6-16)21(22,23)24)10-14(11-26-20)13-2-7-18-25-9-8-19(29)28(18)12-13/h2-12,27H,1H3.
What are the key properties of N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 476.44 g/mol, XLogP of 3.58, 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]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).