N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide

C19H16N6O4S — CID 118616941

IUPACN-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide
SMILESCOc1ncc(-c2cn3c(=O)ccnc3cn2)cc1NS(=O)(=O)c1ccc(C)nc1
InChIInChI=1S/C19H16N6O4S/c1-12-3-4-14(9-21-12)30(27,28)24-15-7-13(8-23-19(15)29-2)16-11-25-17(10-22-16)20-6-5-18(25)26/h3-11,24H,1-2H3
InChIKeyFRNFOCPHTFGPCY-UHFFFAOYSA-N
MW424.44 g/mol
LogP1.66
Rot. Bonds5

About N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide

N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide (PubChem CID 118616941) has the molecular formula C19H16N6O4S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide
PubChem CID118616941
Molecular FormulaC19H16N6O4S
Molecular Weight424.44 g/mol
Exact Mass424.10
IUPAC NameN-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide
SMILESCOc1ncc(-c2cn3c(=O)ccnc3cn2)cc1NS(=O)(=O)c1ccc(C)nc1
InChIInChI=1S/C19H16N6O4S/c1-12-3-4-14(9-21-12)30(27,28)24-15-7-13(8-23-19(15)29-2)16-11-25-17(10-22-16)20-6-5-18(25)26/h3-11,24H,1-2H3
InChIKeyFRNFOCPHTFGPCY-UHFFFAOYSA-N
XLogP1.66
TPSA128.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide?
The IUPAC name of N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide (CID 118616941) is N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide is COc1ncc(-c2cn3c(=O)ccnc3cn2)cc1NS(=O)(=O)c1ccc(C)nc1.
What is the InChIKey of N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide?
The InChIKey is FRNFOCPHTFGPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4S/c1-12-3-4-14(9-21-12)30(27,28)24-15-7-13(8-23-19(15)29-2)16-11-25-17(10-22-16)20-6-5-18(25)26/h3-11,24H,1-2H3.
What are the key properties of N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide?
N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 424.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-oxopyrazino[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 118616941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).