2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C21H15FN4O — CID 4775931

IUPAC2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCc2ccccc21
InChIInChI=1S/C21H15FN4O/c22-16-7-5-15(6-8-16)19-9-11-23-20-13-17(24-26(19)20)21(27)25-12-10-14-3-1-2-4-18(14)25/h1-9,11,13H,10,12H2
InChIKeyXYOIOARFUROMNB-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.74
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 4775931) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID4775931
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCc2ccccc21
InChIInChI=1S/C21H15FN4O/c22-16-7-5-15(6-8-16)19-9-11-23-20-13-17(24-26(19)20)21(27)25-12-10-14-3-1-2-4-18(14)25/h1-9,11,13H,10,12H2
InChIKeyXYOIOARFUROMNB-UHFFFAOYSA-N
XLogP3.74
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 19615898
2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4863042
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 167400834
2-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109091604
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
CID 110618375
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
N-(2,5-difluorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5243772
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 4775931) is 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is XYOIOARFUROMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-16-7-5-15(6-8-16)19-9-11-23-20-13-17(24-26(19)20)21(27)25-12-10-14-3-1-2-4-18(14)25/h1-9,11,13H,10,12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 358.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 4775931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).