1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C18H20N4OS — CID 110118699

IUPAC1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCCC(c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H20N4OS/c23-17(8-6-15-4-2-10-24-15)22-9-1-3-14(12-22)16-7-5-13-11-19-21-18(13)20-16/h2,4-5,7,10-11,14H,1,3,6,8-9,12H2,(H,19,20,21)
InChIKeyROSPDAQAAGXBLM-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.36
Rot. Bonds4

About 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110118699) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110118699
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCCC(c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H20N4OS/c23-17(8-6-15-4-2-10-24-15)22-9-1-3-14(12-22)16-7-5-13-11-19-21-18(13)20-16/h2,4-5,7,10-11,14H,1,3,6,8-9,12H2,(H,19,20,21)
InChIKeyROSPDAQAAGXBLM-UHFFFAOYSA-N
XLogP3.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124955122
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
CID 124980416
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124981783
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95734726
1-[(3S)-3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 29068330

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 110118699) is 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCCC(c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is ROSPDAQAAGXBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-17(8-6-15-4-2-10-24-15)22-9-1-3-14(12-22)16-7-5-13-11-19-21-18(13)20-16/h2,4-5,7,10-11,14H,1,3,6,8-9,12H2,(H,19,20,21).
What are the key properties of 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 340.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110118699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).