N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide

C20H18ClN5O3 — CID 118693788

IUPACN-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
SMILESCOc1nc(N2CC(C)n3ncc(NC(=O)c4ccccc4)c3C2=O)ccc1Cl
InChIInChI=1S/C20H18ClN5O3/c1-12-11-25(16-9-8-14(21)19(24-16)29-2)20(28)17-15(10-22-26(12)17)23-18(27)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyYBOTYJGQXGFMIM-UHFFFAOYSA-N
MW411.85 g/mol
LogP3.41
Rot. Bonds4

About N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide

N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide (PubChem CID 118693788) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
PubChem CID118693788
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC NameN-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
SMILESCOc1nc(N2CC(C)n3ncc(NC(=O)c4ccccc4)c3C2=O)ccc1Cl
InChIInChI=1S/C20H18ClN5O3/c1-12-11-25(16-9-8-14(21)19(24-16)29-2)20(28)17-15(10-22-26(12)17)23-18(27)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,23,27)
InChIKeyYBOTYJGQXGFMIM-UHFFFAOYSA-N
XLogP3.41
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Chloro-4-methoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10789215
5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 71697564
N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496385
5-(5-Chloropyridin-2-yl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575136
1-[(2-chlorophenoxy)methyl]-N-(5-methylpyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 19581810
N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978839
N-(3-chloro-4-methoxyphenyl)-2-(2-cyclopropyl-4-oxopyrazolo[1,5-a]pyrido[3,2-e]pyrazin-5(4H)-yl)acetamide
CID 53172355
6-Chloro-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(2-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624328
6-chloro-N-(3-fluoropyridin-4-yl)-8-(N-(4-methoxybenzyl)acetamido)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624715
2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723511
6-chloro-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(3-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 86649272
6-chloro-N-(3-fluoro-4-pyridinyl)-8-[3-(4-methoxyphenyl)propanoylamino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87565182

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide (CID 118693788) is N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide is COc1nc(N2CC(C)n3ncc(NC(=O)c4ccccc4)c3C2=O)ccc1Cl.
What is the InChIKey of N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
The InChIKey is YBOTYJGQXGFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c1-12-11-25(16-9-8-14(21)19(24-16)29-2)20(28)17-15(10-22-26(12)17)23-18(27)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,23,27).
What are the key properties of N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide?
N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide has a molecular weight of 411.85 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-6-methoxy-2-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 118693788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).