1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

C17H20N4O — CID 122195723

IUPAC1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(CN3CCc4ccccc43)cc21
InChIInChI=1S/C17H20N4O/c1-13(22)20-8-4-9-21-17(20)11-15(18-21)12-19-10-7-14-5-2-3-6-16(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3
InChIKeyLVYOQWSULCOSMP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 122195723) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID122195723
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(CN3CCc4ccccc43)cc21
InChIInChI=1S/C17H20N4O/c1-13(22)20-8-4-9-21-17(20)11-15(18-21)12-19-10-7-14-5-2-3-6-16(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3
InChIKeyLVYOQWSULCOSMP-UHFFFAOYSA-N
XLogP2.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 122195723) is 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is CC(=O)N1CCCn2nc(CN3CCc4ccccc43)cc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is LVYOQWSULCOSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13(22)20-8-4-9-21-17(20)11-15(18-21)12-19-10-7-14-5-2-3-6-16(14)19/h2-3,5-6,11H,4,7-10,12H2,1H3.
What are the key properties of 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 122195723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).