5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

C21H23N5O — CID 75084202

IUPAC5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC1NNC2C(=O)N(CCc3c[nH]c4ccccc34)C(c3ccccn3)C12
InChIInChI=1S/C21H23N5O/c1-13-18-19(25-24-13)21(27)26(20(18)17-8-4-5-10-22-17)11-9-14-12-23-16-7-3-2-6-15(14)16/h2-8,10,12-13,18-20,23-25H,9,11H2,1H3
InChIKeyLNHIEUBBUBKVKG-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.17
Rot. Bonds4

About 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 75084202) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID75084202
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC1NNC2C(=O)N(CCc3c[nH]c4ccccc34)C(c3ccccn3)C12
InChIInChI=1S/C21H23N5O/c1-13-18-19(25-24-13)21(27)26(20(18)17-8-4-5-10-22-17)11-9-14-12-23-16-7-3-2-6-15(14)16/h2-8,10,12-13,18-20,23-25H,9,11H2,1H3
InChIKeyLNHIEUBBUBKVKG-UHFFFAOYSA-N
XLogP2.17
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 4753251
(4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 51460995
(5S)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 1494629
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
CID 167774874
(2S)-3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-2H-pyrrol-5-one
CID 40696996
3-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-3H-isoquinolin-1-one
CID 101020470
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 3349682
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276
[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
CID 175264524
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-acetyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4747422

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (CID 75084202) is 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is CC1NNC2C(=O)N(CCc3c[nH]c4ccccc34)C(c3ccccn3)C12.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is LNHIEUBBUBKVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-18-19(25-24-13)21(27)26(20(18)17-8-4-5-10-22-17)11-9-14-12-23-16-7-3-2-6-15(14)16/h2-8,10,12-13,18-20,23-25H,9,11H2,1H3.
What are the key properties of 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 361.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 75084202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).