2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide

C22H22N4O3 — CID 20944165

IUPAC2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccco4)c32)cc1
InChIInChI=1S/C22H22N4O3/c1-14-6-8-17(9-7-14)26-22-21(16(3)24-26)15(2)11-20(28)25(22)13-19(27)23-12-18-5-4-10-29-18/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyGJXLTRMZOAXZGH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.02
Rot. Bonds5

About 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide

2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20944165) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20944165
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccco4)c32)cc1
InChIInChI=1S/C22H22N4O3/c1-14-6-8-17(9-7-14)26-22-21(16(3)24-26)15(2)11-20(28)25(22)13-19(27)23-12-18-5-4-10-29-18/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyGJXLTRMZOAXZGH-UHFFFAOYSA-N
XLogP3.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 11384622
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide
CID 24739309
1-[11-Ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),3,7,9-tetraen-7-yl]-3-(4-methylphenyl)urea
CID 44413359
2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454569
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
CID 7593466
N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 3237565
N-(2-furanylmethyl)-3-(2,4,8,10-tetramethyl-3-pyrido[2,3]pyrazolo[2,4-a]pyrimidinyl)propanamide
CID 5308404
6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
5-amino-N-(2-furylmethyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 15990733
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide (CID 20944165) is 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCc4ccco4)c32)cc1.
What is the InChIKey of 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GJXLTRMZOAXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-6-8-17(9-7-14)26-22-21(16(3)24-26)15(2)11-20(28)25(22)13-19(27)23-12-18-5-4-10-29-18/h4-11H,12-13H2,1-3H3,(H,23,27).
What are the key properties of 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20944165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).