2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone

C24H26N4O — CID 91884584

IUPAC2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)C1
InChIInChI=1S/C24H26N4O/c29-24(12-18-4-2-1-3-5-18)28-10-8-19(17-28)16-27-11-9-21-13-20(6-7-23(21)27)22-14-25-26-15-22/h1-7,13-15,19H,8-12,16-17H2,(H,25,26)
InChIKeyIHLKESLFACFNRK-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.53
Rot. Bonds5

About 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone

2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 91884584) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID91884584
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)C1
InChIInChI=1S/C24H26N4O/c29-24(12-18-4-2-1-3-5-18)28-10-8-19(17-28)16-27-11-9-21-13-20(6-7-23(21)27)22-14-25-26-15-22/h1-7,13-15,19H,8-12,16-17H2,(H,25,26)
InChIKeyIHLKESLFACFNRK-UHFFFAOYSA-N
XLogP3.53
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118354970
3-(4-fluorophenyl)-1-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 123580966
1-[3-[[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 144921377
2-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl]-5-(1H-pyrazol-4-yl)benzoic acid
CID 169094887
phenyl-[3-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674511
1-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole
CID 90068395
1-[4-[[2-methyl-5-(1H-pyrazol-4-yl)indol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 118354885
1-[4-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-2-phenylethanone
CID 169094674
1-[[1-[2-(hydroxymethyl)-4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 169094886
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone (CID 91884584) is 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(CN2CCc3cc(-c4cn[nH]c4)ccc32)C1.
What is the InChIKey of 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is IHLKESLFACFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(12-18-4-2-1-3-5-18)28-10-8-19(17-28)16-27-11-9-21-13-20(6-7-23(21)27)22-14-25-26-15-22/h1-7,13-15,19H,8-12,16-17H2,(H,25,26).
What are the key properties of 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone?
2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 386.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91884584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).