1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one

C24H19N3O2 — CID 15603182

IUPAC1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cccnc1)c1cc(-c2cccc3[nH]ccc23)cc(N2CCCC2=O)c1
InChIInChI=1S/C24H19N3O2/c28-23-7-3-11-27(23)19-13-17(20-5-1-6-22-21(20)8-10-26-22)12-18(14-19)24(29)16-4-2-9-25-15-16/h1-2,4-6,8-10,12-15,26H,3,7,11H2
InChIKeyCKEXRCFABYFSMZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.59
Rot. Bonds4

About 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 15603182) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID15603182
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1cccnc1)c1cc(-c2cccc3[nH]ccc23)cc(N2CCCC2=O)c1
InChIInChI=1S/C24H19N3O2/c28-23-7-3-11-27(23)19-13-17(20-5-1-6-22-21(20)8-10-26-22)12-18(14-19)24(29)16-4-2-9-25-15-16/h1-2,4-6,8-10,12-15,26H,3,7,11H2
InChIKeyCKEXRCFABYFSMZ-UHFFFAOYSA-N
XLogP4.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
CID 166365330
1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
CID 172517182
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 120730632
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
[3-hydroxy-5-[3-(2,2,2-trifluoroethyl)-1H-indol-4-yl]phenyl]-pyridin-3-ylmethanone
CID 91470423
1-(3,5-dipyridin-2-ylphenyl)pyrrolidin-2-one
CID 172517347
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide
CID 15603084
1-(3-pyridin-3-yl-1H-isoindol-5-yl)pyrrolidin-2-one
CID 159105946
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 51125155

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one (CID 15603182) is 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1cccnc1)c1cc(-c2cccc3[nH]ccc23)cc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is CKEXRCFABYFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-23-7-3-11-27(23)19-13-17(20-5-1-6-22-21(20)8-10-26-22)12-18(14-19)24(29)16-4-2-9-25-15-16/h1-2,4-6,8-10,12-15,26H,3,7,11H2.
What are the key properties of 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one?
1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 381.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-4-yl)-5-(pyridine-3-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 15603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).