1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H19N3O2S — CID 135986410

IUPAC1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccs2)c1
InChIInChI=1S/C20H19N3O2S/c1-3-13-6-4-7-14(10-13)23-20-18(12(2)22-23)15(11-17(24)21-20)19(25)16-8-5-9-26-16/h4-10,15H,3,11H2,1-2H3,(H,21,24)
InChIKeyWXIUZNVEMPFZHK-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.11
Rot. Bonds4

About 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135986410) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135986410
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccs2)c1
InChIInChI=1S/C20H19N3O2S/c1-3-13-6-4-7-14(10-13)23-20-18(12(2)22-23)15(11-17(24)21-20)19(25)16-8-5-9-26-16/h4-10,15H,3,11H2,1-2H3,(H,21,24)
InChIKeyWXIUZNVEMPFZHK-UHFFFAOYSA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135986410) is 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccs2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WXIUZNVEMPFZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-13-6-4-7-14(10-13)23-20-18(12(2)22-23)15(11-17(24)21-20)19(25)16-8-5-9-26-16/h4-10,15H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 365.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135986410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).