1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C15H17N3OS — CID 135632607

IUPAC1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccsc2)c2cnn(C3CCCC3)c2N1
InChIInChI=1S/C15H17N3OS/c19-14-7-12(10-5-6-20-9-10)13-8-16-18(15(13)17-14)11-3-1-2-4-11/h5-6,8-9,11-12H,1-4,7H2,(H,17,19)
InChIKeyAWEPMXHESGNWCZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.53
Rot. Bonds2

About 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632607) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632607
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccsc2)c2cnn(C3CCCC3)c2N1
InChIInChI=1S/C15H17N3OS/c19-14-7-12(10-5-6-20-9-10)13-8-16-18(15(13)17-14)11-3-1-2-4-11/h5-6,8-9,11-12H,1-4,7H2,(H,17,19)
InChIKeyAWEPMXHESGNWCZ-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(thiophen-2-yl)-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135632516
US10118930, Example 59
CID 137018249
N-(2-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 45843185
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 71993648
1-tert-butyl-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632728
1-isopropyl-4-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632904
1-tert-butyl-4-(thiophen-3-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632979
1-cyclopentyl-4-(2-thienyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136159214
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
(4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136713728
(4R)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899686
(4S)-1-(thiophen-2-ylmethyl)-4-(2,3,4-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899698

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632607) is 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccsc2)c2cnn(C3CCCC3)c2N1.
What is the InChIKey of 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AWEPMXHESGNWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14-7-12(10-5-6-20-9-10)13-8-16-18(15(13)17-14)11-3-1-2-4-11/h5-6,8-9,11-12H,1-4,7H2,(H,17,19).
What are the key properties of 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 287.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).