1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine

C12H15N3 — CID 121016353

IUPAC1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CCC(n2ccc3cccnc32)C1
InChIInChI=1S/C12H15N3/c1-14-7-5-11(9-14)15-8-4-10-3-2-6-13-12(10)15/h2-4,6,8,11H,5,7,9H2,1H3
InChIKeyWKRFFWOPXZYAOK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.91
Rot. Bonds1

About 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine

1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 121016353) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID121016353
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CCC(n2ccc3cccnc32)C1
InChIInChI=1S/C12H15N3/c1-14-7-5-11(9-14)15-8-4-10-3-2-6-13-12(10)15/h2-4,6,8,11H,5,7,9H2,1H3
InChIKeyWKRFFWOPXZYAOK-UHFFFAOYSA-N
XLogP1.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
CID 147916716
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168
N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide
CID 175644954
6-bromo-1-(1-methylpyrrolidin-3-yl)indole
CID 137382323
methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine
CID 76852301
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine
CID 82503676
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine (CID 121016353) is 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine is CN1CCC(n2ccc3cccnc32)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is WKRFFWOPXZYAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-14-7-5-11(9-14)15-8-4-10-3-2-6-13-12(10)15/h2-4,6,8,11H,5,7,9H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine?
1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 201.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121016353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).