2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C17H21N3O — CID 169422316

IUPAC2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1cc(C)c(C)cc1C
InChIInChI=1S/C17H21N3O/c1-5-20-9-15-14(8-16(21)18-17(15)19-20)13-7-11(3)10(2)6-12(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,19,21)
InChIKeyVRDYKKZLMFEBOJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.30
Rot. Bonds2

About 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 169422316) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID169422316
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCn1cc2c(n1)NC(=O)CC2c1cc(C)c(C)cc1C
InChIInChI=1S/C17H21N3O/c1-5-20-9-15-14(8-16(21)18-17(15)19-20)13-7-11(3)10(2)6-12(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,19,21)
InChIKeyVRDYKKZLMFEBOJ-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169411275
2-ethyl-4-(4-methoxy-3-methylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one;formic acid
CID 171339699
4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171912336
4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910479
2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171915522
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421577
(4R)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95132979
2-benzyl-4-(2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169417150
2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
(4S)-4-[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 136820809
[4-[(4S)-2-ethyl-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]-2,6-dimethylphenyl] acetate
CID 136713782
13-(1-ethylimidazol-4-yl)-4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-11-one
CID 169416359

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 169422316) is 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCn1cc2c(n1)NC(=O)CC2c1cc(C)c(C)cc1C.
What is the InChIKey of 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is VRDYKKZLMFEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-5-20-9-15-14(8-16(21)18-17(15)19-20)13-7-11(3)10(2)6-12(13)4/h6-7,9,14H,5,8H2,1-4H3,(H,18,19,21).
What are the key properties of 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 283.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169422316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).