(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C15H17N3O2S — CID 95706511

IUPAC(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESO=C1C[C@H](c2cccs2)c2c(n(C3CCCC3)[nH]c2=O)N1
InChIInChI=1S/C15H17N3O2S/c19-12-8-10(11-6-3-7-21-11)13-14(16-12)18(17-15(13)20)9-4-1-2-5-9/h3,6-7,9-10H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyASWLTMDBVYPVBY-SNVBAGLBSA-N
MW303.39 g/mol
LogP2.83
Rot. Bonds2

About (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95706511) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95706511
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESO=C1C[C@H](c2cccs2)c2c(n(C3CCCC3)[nH]c2=O)N1
InChIInChI=1S/C15H17N3O2S/c19-12-8-10(11-6-3-7-21-11)13-14(16-12)18(17-15(13)20)9-4-1-2-5-9/h3,6-7,9-10H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t10-/m1/s1
InChIKeyASWLTMDBVYPVBY-SNVBAGLBSA-N
XLogP2.83
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-cyclopentyl-4-(4-fluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95706177
(4R)-1-cyclopentyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826183
2-(1-cyclohexyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 171913823
3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
(4R)-1-cyclopentyl-4-(1,3-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389610
(4S)-1-cyclopentyl-4-(1,3-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389609
1-cyclohexyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 169416726
(4R)-1-cyclohexyl-4-quinolin-4-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95122395
(4R)-1-cyclohexyl-4-(1,5-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95390433
(4R)-1-cyclopentyl-4-(2-fluorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 97264632
2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 95713375
(4R)-1-(oxan-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 97265132

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95706511) is (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is O=C1C[C@H](c2cccs2)c2c(n(C3CCCC3)[nH]c2=O)N1.
What is the InChIKey of (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is ASWLTMDBVYPVBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-12-8-10(11-6-3-7-21-11)13-14(16-12)18(17-15(13)20)9-4-1-2-5-9/h3,6-7,9-10H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t10-/m1/s1.
What are the key properties of (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 303.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95706511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).