N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide

C20H20N6O4S — CID 158717524

IUPACN-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C)c(=O)n3c2)cc1NS(=O)(=O)c1nc(C)[nH]c1C
InChIInChI=1S/C20H20N6O4S/c1-11-8-21-17-6-5-14(10-26(17)20(11)27)15-7-16(18(30-4)22-9-15)25-31(28,29)19-12(2)23-13(3)24-19/h5-10,25H,1-4H3,(H,23,24)
InChIKeyZKLAEAFJEAHMEA-UHFFFAOYSA-N
MW440.49 g/mol
LogP2.21
Rot. Bonds5

About N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide

N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide (PubChem CID 158717524) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide
PubChem CID158717524
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC NameN-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide
SMILESCOc1ncc(-c2ccc3ncc(C)c(=O)n3c2)cc1NS(=O)(=O)c1nc(C)[nH]c1C
InChIInChI=1S/C20H20N6O4S/c1-11-8-21-17-6-5-14(10-26(17)20(11)27)15-7-16(18(30-4)22-9-15)25-31(28,29)19-12(2)23-13(3)24-19/h5-10,25H,1-4H3,(H,23,24)
InChIKeyZKLAEAFJEAHMEA-UHFFFAOYSA-N
XLogP2.21
TPSA131.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 162193377
3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118616961
N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]-3-methylthiophene-2-sulfonamide
CID 118617112
2-chloro-4-fluoro-N-[5-(3-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118617169
N-[5-[3-[2-(dimethylamino)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxy-3-pyridinyl]-3-methylthiophene-2-sulfonamide
CID 118613278
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
2-chloro-4-fluoro-N-[5-[3-[2-(methanesulfonamido)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118612826
2-bromo-4-fluoro-N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118617035
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
N-[5-(3-but-1-ynylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
CID 90152177
2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74763398

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide?
The IUPAC name of N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide (CID 158717524) is N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide?
The canonical SMILES for N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide is COc1ncc(-c2ccc3ncc(C)c(=O)n3c2)cc1NS(=O)(=O)c1nc(C)[nH]c1C.
What is the InChIKey of N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide?
The InChIKey is ZKLAEAFJEAHMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-11-8-21-17-6-5-14(10-26(17)20(11)27)15-7-16(18(30-4)22-9-15)25-31(28,29)19-12(2)23-13(3)24-19/h5-10,25H,1-4H3,(H,23,24).
What are the key properties of N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide?
N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide has a molecular weight of 440.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide is sourced from PubChem (CID 158717524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).