2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C19H14N4OS — CID 19615898

IUPAC2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cc2nccc(-c3cccs3)n2n1)N1CCc2ccccc21
InChIInChI=1S/C19H14N4OS/c24-19(22-10-8-13-4-1-2-5-15(13)22)14-12-18-20-9-7-16(23(18)21-14)17-6-3-11-25-17/h1-7,9,11-12H,8,10H2
InChIKeyZBIFWKBTAQCZIE-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.66
Rot. Bonds2

About 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 19615898) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID19615898
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cc2nccc(-c3cccs3)n2n1)N1CCc2ccccc21
InChIInChI=1S/C19H14N4OS/c24-19(22-10-8-13-4-1-2-5-15(13)22)14-12-18-20-9-7-16(23(18)21-14)17-6-3-11-25-17/h1-7,9,11-12H,8,10H2
InChIKeyZBIFWKBTAQCZIE-UHFFFAOYSA-N
XLogP3.66
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4863042
N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19590478
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 167400834
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659550
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 19615898) is 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is O=C(c1cc2nccc(-c3cccs3)n2n1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is ZBIFWKBTAQCZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-19(22-10-8-13-4-1-2-5-15(13)22)14-12-18-20-9-7-16(23(18)21-14)17-6-3-11-25-17/h1-7,9,11-12H,8,10H2.
What are the key properties of 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 346.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 19615898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).