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

C14H17N3OS — CID 135632979

IUPAC1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1ccsc1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-13-11(7-15-17)10(6-12(18)16-13)9-4-5-19-8-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,18)
InChIKeyFVXARYTYPRCNMD-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.17
Rot. Bonds1

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

1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135632979) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135632979
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1ccsc1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-13-11(7-15-17)10(6-12(18)16-13)9-4-5-19-8-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,18)
InChIKeyFVXARYTYPRCNMD-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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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
US10118930, Example 66
CID 137018486
N-(2-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 45843185
1-cyclopentyl-4-(thiophen-3-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632607
1-tert-butyl-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632728
1-tert-butyl-4-(thiophen-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
CID 135632810
1-isopropyl-4-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632904
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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135632979) is 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC(C)(C)n1ncc2c1NC(=O)CC2c1ccsc1.
What is the InChIKey of 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is FVXARYTYPRCNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)17-13-11(7-15-17)10(6-12(18)16-13)9-4-5-19-8-9/h4-5,7-8,10H,6H2,1-3H3,(H,16,18).
What are the key properties of 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 275.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-thiophen-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135632979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).