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

C21H19N5O — CID 51460995

IUPAC(4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1[C@H](c1ccccn1)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C21H19N5O/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/h2-8,10,12,20,23H,9,11H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyKKSXJLOXXMEYSD-FQEVSTJZSA-N
MW357.42 g/mol
LogP3.38
Rot. Bonds4

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

(4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 51460995) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID51460995
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1[C@H](c1ccccn1)N(CCc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C21H19N5O/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/h2-8,10,12,20,23H,9,11H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyKKSXJLOXXMEYSD-FQEVSTJZSA-N
XLogP3.38
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 41063299
4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 4753251
(5S)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 1494629
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
(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-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42653418
[3-acetyl-1-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-yl] acetate
CID 118231522
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 3349682
4-(2-fluorophenyl)-3-(furan-2-yl)-5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 42648412
(2R)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-2H-pyrrol-5-one
CID 51552220
3-(1-tert-butyltetrazol-5-yl)-2-[2-(1H-indol-3-yl)ethyl]-3H-isoindol-1-one
CID 53301699

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of (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) is (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1[C@H](c1ccccn1)N(CCc1c[nH]c3ccccc13)C2=O.
What is the InChIKey of (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is KKSXJLOXXMEYSD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19N5O/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/h2-8,10,12,20,23H,9,11H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
(4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 357.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-pyridin-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 51460995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).