6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C18H20N4O — CID 50984326

IUPAC6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1CC(c1cccnc1)N1CCCC1
InChIInChI=1S/C18H20N4O/c23-18-15-6-4-8-20-16(15)12-22(18)13-17(21-9-1-2-10-21)14-5-3-7-19-11-14/h3-8,11,17H,1-2,9-10,12-13H2
InChIKeyWWIRUILSEOLKRD-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.27
Rot. Bonds4

About 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50984326) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50984326
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1CC(c1cccnc1)N1CCCC1
InChIInChI=1S/C18H20N4O/c23-18-15-6-4-8-20-16(15)12-22(18)13-17(21-9-1-2-10-21)14-5-3-7-19-11-14/h3-8,11,17H,1-2,9-10,12-13H2
InChIKeyWWIRUILSEOLKRD-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955034
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92974392
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50984326) is 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1CC(c1cccnc1)N1CCCC1.
What is the InChIKey of 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WWIRUILSEOLKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18-15-6-4-8-20-16(15)12-22(18)13-17(21-9-1-2-10-21)14-5-3-7-19-11-14/h3-8,11,17H,1-2,9-10,12-13H2.
What are the key properties of 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 308.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50984326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).