3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine

C12H15N3 — CID 67247276

IUPAC3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESc1cnc2c(CC3CCCN3)c[nH]c2c1
InChIInChI=1S/C12H15N3/c1-3-10(13-5-1)7-9-8-15-11-4-2-6-14-12(9)11/h2,4,6,8,10,13,15H,1,3,5,7H2
InChIKeyDXGJKCSUCOWWHS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.86
Rot. Bonds2

About 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine

3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 67247276) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID67247276
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESc1cnc2c(CC3CCCN3)c[nH]c2c1
InChIInChI=1S/C12H15N3/c1-3-10(13-5-1)7-9-8-15-11-4-2-6-14-12(9)11/h2,4,6,8,10,13,15H,1,3,5,7H2
InChIKeyDXGJKCSUCOWWHS-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 70068348
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
CID 143921679
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
CID 19702143
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
N-(pyrrolidin-2-ylmethyl)-1-quinolin-8-ylmethanesulfonamide
CID 119974476
8-(piperidin-2-ylmethoxymethyl)quinoline
CID 62341251
2-(2-piperidin-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 62217550

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine (CID 67247276) is 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine is c1cnc2c(CC3CCCN3)c[nH]c2c1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is DXGJKCSUCOWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-10(13-5-1)7-9-8-15-11-4-2-6-14-12(9)11/h2,4,6,8,10,13,15H,1,3,5,7H2.
What are the key properties of 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine?
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 201.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67247276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).