N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

C22H28N4O2 — CID 22575886

IUPACN-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCCc1cc(=O)n(CC(=O)NC(C)CC)c2c1c(C)nn2-c1ccc(C)cc1
InChIInChI=1S/C22H28N4O2/c1-6-15(4)23-19(27)13-25-20(28)12-17(7-2)21-16(5)24-26(22(21)25)18-10-8-14(3)9-11-18/h8-12,15H,6-7,13H2,1-5H3,(H,23,27)
InChIKeyQSWWDOQYWHKMNG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.28
Rot. Bonds6

About N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 22575886) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID22575886
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCCc1cc(=O)n(CC(=O)NC(C)CC)c2c1c(C)nn2-c1ccc(C)cc1
InChIInChI=1S/C22H28N4O2/c1-6-15(4)23-19(27)13-25-20(28)12-17(7-2)21-16(5)24-26(22(21)25)18-10-8-14(3)9-11-18/h8-12,15H,6-7,13H2,1-5H3,(H,23,27)
InChIKeyQSWWDOQYWHKMNG-UHFFFAOYSA-N
XLogP3.28
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(3-methoxyphenyl)acetamide
CID 22575889
ethyl 4-[[2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetyl]amino]piperidine-1-carboxylate
CID 46351039
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(2-methoxyphenyl)acetamide
CID 22575831
4-ethyl-7-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 22575842
2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 22575760
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
3-methyl-1-(4-methylphenyl)-7-(2-oxo-2-piperidin-1-ylethyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-one
CID 46339101
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944146
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951849

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 22575886) is N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is CCc1cc(=O)n(CC(=O)NC(C)CC)c2c1c(C)nn2-c1ccc(C)cc1.
What is the InChIKey of N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is QSWWDOQYWHKMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-6-15(4)23-19(27)13-25-20(28)12-17(7-2)21-16(5)24-26(22(21)25)18-10-8-14(3)9-11-18/h8-12,15H,6-7,13H2,1-5H3,(H,23,27).
What are the key properties of N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 22575886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).