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

C22H19ClN4O4S — CID 162193377

IUPAC2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C22H19ClN4O4S/c1-13-4-6-19(17(23)8-13)32(29,30)26-18-9-16(11-25-21(18)31-3)15-5-7-20-24-10-14(2)22(28)27(20)12-15/h4-12,26H,1-3H3
InChIKeyJUQDGLJREYVNCJ-UHFFFAOYSA-N
MW470.94 g/mol
LogP3.84
Rot. Bonds5

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

2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 162193377) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID162193377
Molecular FormulaC22H19ClN4O4S
Molecular Weight470.94 g/mol
Exact Mass470.08
IUPAC Name2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C22H19ClN4O4S/c1-13-4-6-19(17(23)8-13)32(29,30)26-18-9-16(11-25-21(18)31-3)15-5-7-20-24-10-14(2)22(28)27(20)12-15/h4-12,26H,1-3H3
InChIKeyJUQDGLJREYVNCJ-UHFFFAOYSA-N
XLogP3.84
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.94
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 162193377) is 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide is COc1ncc(-c2ccc3ncc(C)c(=O)n3c2)cc1NS(=O)(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is JUQDGLJREYVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-13-4-6-19(17(23)8-13)32(29,30)26-18-9-16(11-25-21(18)31-3)15-5-7-20-24-10-14(2)22(28)27(20)12-15/h4-12,26H,1-3H3.
What are the key properties of 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 470.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 162193377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).