6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C16H19N3O2S — CID 134810237

IUPAC6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccsc3)n[nH]c2CN1CC1CCOCC1
InChIInChI=1S/C16H19N3O2S/c20-15-7-13-14(17-18-16(13)12-3-6-22-10-12)9-19(15)8-11-1-4-21-5-2-11/h3,6,10-11H,1-2,4-5,7-9H2,(H,17,18)
InChIKeyVVEGBJPYMYIQCZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.45
Rot. Bonds3

About 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810237) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810237
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccsc3)n[nH]c2CN1CC1CCOCC1
InChIInChI=1S/C16H19N3O2S/c20-15-7-13-14(17-18-16(13)12-3-6-22-10-12)9-19(15)8-11-1-4-21-5-2-11/h3,6,10-11H,1-2,4-5,7-9H2,(H,17,18)
InChIKeyVVEGBJPYMYIQCZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one with MolForge

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134808921
3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134806853
2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
6-benzyl-3-(furan-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810302
morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
CID 97408303
6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810342
1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazole-4-carbaldehyde
CID 121213556
4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine
CID 69202365
morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97408296
3-(4-tert-butylphenyl)-5-(oxolan-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 45241472
2-[1-(cyclopropylmethyl)-3-thiophen-3-ylpyrazol-4-yl]acetonitrile
CID 121213747
(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
CID 121212446

Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810237) is 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccsc3)n[nH]c2CN1CC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is VVEGBJPYMYIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15-7-13-14(17-18-16(13)12-3-6-22-10-12)9-19(15)8-11-1-4-21-5-2-11/h3,6,10-11H,1-2,4-5,7-9H2,(H,17,18).
What are the key properties of 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 317.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethyl)-3-thiophen-3-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).