2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone

C18H19N3O — CID 110114784

IUPAC2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCCC1c1ccncn1
InChIInChI=1S/C18H19N3O/c22-18(15-7-6-13-3-1-4-14(13)11-15)21-10-2-5-17(21)16-8-9-19-12-20-16/h6-9,11-12,17H,1-5,10H2
InChIKeyVIWZZGDDSBBXJL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.94
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone

2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 110114784) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
PubChem CID110114784
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCCC1c1ccncn1
InChIInChI=1S/C18H19N3O/c22-18(15-7-6-13-3-1-4-14(13)11-15)21-10-2-5-17(21)16-8-9-19-12-20-16/h6-9,11-12,17H,1-5,10H2
InChIKeyVIWZZGDDSBBXJL-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124958735
2,3-dihydro-1H-inden-5-yl-[(2S)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124976327
[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124949721
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
1,6-dimethyl-3-(2-pyrimidin-4-ylpyrrolidine-1-carbonyl)pyridin-2-one
CID 110118870
(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 166384198
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
2,3-dihydro-1,4-benzodioxin-5-yl-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 125017528

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone (CID 110114784) is 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccc2c(c1)CCC2)N1CCCC1c1ccncn1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is VIWZZGDDSBBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(15-7-6-13-3-1-4-14(13)11-15)21-10-2-5-17(21)16-8-9-19-12-20-16/h6-9,11-12,17H,1-5,10H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone?
2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110114784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).