1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine

C24H23N5 — CID 16662670

IUPAC1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine
SMILESC1=CNC2C(=C1)CCN2c1ncccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H23N5/c1-7-20(16-25-10-1)22(21-8-2-11-26-17-21)15-19-6-4-13-28-24(19)29-14-9-18-5-3-12-27-23(18)29/h1-8,10-13,16-17,22-23,27H,9,14-15H2
InChIKeyNMVJUOMAGMYQRJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine

1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine (PubChem CID 16662670) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine
PubChem CID16662670
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine
SMILESC1=CNC2C(=C1)CCN2c1ncccc1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C24H23N5/c1-7-20(16-25-10-1)22(21-8-2-11-26-17-21)15-19-6-4-13-28-24(19)29-14-9-18-5-3-12-27-23(18)29/h1-8,10-13,16-17,22-23,27H,9,14-15H2
InChIKeyNMVJUOMAGMYQRJ-UHFFFAOYSA-N
XLogP3.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dipyridin-3-ylethyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]pyridine
CID 67265206
3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
CID 66830725
2-(cyclohexen-1-yl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829358
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
1-[3-[2-(3-methylsulfonylphenyl)-2-pyridin-3-ylethyl]-2-pyridinyl]benzimidazole
CID 66829901
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole
CID 67264898
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
2,2-dipyridin-3-ylethanol
CID 57450821
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
CID 16662853
3-(2,2-dipyridin-3-ylethyl)-2-(4-fluoro-2-methylphenyl)pyridine
CID 66829446

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine (CID 16662670) is 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine is C1=CNC2C(=C1)CCN2c1ncccc1CC(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine?
The InChIKey is NMVJUOMAGMYQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-7-20(16-25-10-1)22(21-8-2-11-26-17-21)15-19-6-4-13-28-24(19)29-14-9-18-5-3-12-27-23(18)29/h1-8,10-13,16-17,22-23,27H,9,14-15H2.
What are the key properties of 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine?
1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine has a molecular weight of 381.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,3,7,7a-tetrahydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 16662670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).