3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C21H20N4O — CID 122515875

IUPAC3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(N2CCc3ccccc32)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C21H20N4O/c26-21-20(25-11-9-16-3-1-2-4-19(16)25)10-12-24(21)18-7-5-15(6-8-18)17-13-22-23-14-17/h1-8,13-14,20H,9-12H2,(H,22,23)
InChIKeyLNFOSSCRZCGXGE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.24
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 122515875) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID122515875
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(N2CCc3ccccc32)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C21H20N4O/c26-21-20(25-11-9-16-3-1-2-4-19(16)25)10-12-24(21)18-7-5-15(6-8-18)17-13-22-23-14-17/h1-8,13-14,20H,9-12H2,(H,22,23)
InChIKeyLNFOSSCRZCGXGE-UHFFFAOYSA-N
XLogP3.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
3-(4-fluorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238989
US10669234, Example 19
CID 124197627
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
(2S)-1-(2-phenylacetyl)-N-[4-[3-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 71520789
3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one
CID 71540044
US10669234, Example 95
CID 124197421
US10640498, Example 41
CID 130345325
US10669234, Example 29
CID 135204674
US10669234, Example 30
CID 135205376
US10669234, Example 28
CID 135205478
US11479533, Example 12
CID 137425585

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 122515875) is 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(N2CCc3ccccc32)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is LNFOSSCRZCGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21-20(25-11-9-16-3-1-2-4-19(16)25)10-12-24(21)18-7-5-15(6-8-18)17-13-22-23-14-17/h1-8,13-14,20H,9-12H2,(H,22,23).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 122515875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).