2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide

C22H27N5O3 — CID 46396097

IUPAC2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(-n2nc(C)c3c(=O)n(CC(=O)NCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C22H27N5O3/c1-16-3-5-18(6-4-16)27-19-7-9-26(22(29)21(19)17(2)24-27)15-20(28)23-8-10-25-11-13-30-14-12-25/h3-7,9H,8,10-15H2,1-2H3,(H,23,28)
InChIKeyJFLTYAJUAMIKGW-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.25
Rot. Bonds6

About 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 46396097) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID46396097
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(-n2nc(C)c3c(=O)n(CC(=O)NCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C22H27N5O3/c1-16-3-5-18(6-4-16)27-19-7-9-26(22(29)21(19)17(2)24-27)15-20(28)23-8-10-25-11-13-30-14-12-25/h3-7,9H,8,10-15H2,1-2H3,(H,23,28)
InChIKeyJFLTYAJUAMIKGW-UHFFFAOYSA-N
XLogP1.25
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53131994
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
4-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835918
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46372556
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836502
1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86933154
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 62815288

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 46396097) is 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc(-n2nc(C)c3c(=O)n(CC(=O)NCCN4CCOCC4)ccc32)cc1.
What is the InChIKey of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is JFLTYAJUAMIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16-3-5-18(6-4-16)27-19-7-9-26(22(29)21(19)17(2)24-27)15-20(28)23-8-10-25-11-13-30-14-12-25/h3-7,9H,8,10-15H2,1-2H3,(H,23,28).
What are the key properties of 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4-methylphenyl)-4-oxopyrazolo[4,5-c]pyridin-5-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 46396097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).