1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine

C14H19N3 — CID 169206758

IUPAC1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
SMILESCC(c1ccnc2c1ccn2C)N1CCCC1
InChIInChI=1S/C14H19N3/c1-11(17-8-3-4-9-17)12-5-7-15-14-13(12)6-10-16(14)2/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyDRNSQMHUXDZBPZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.73
Rot. Bonds2

About 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine

1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine (PubChem CID 169206758) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
PubChem CID169206758
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
SMILESCC(c1ccnc2c1ccn2C)N1CCCC1
InChIInChI=1S/C14H19N3/c1-11(17-8-3-4-9-17)12-5-7-15-14-13(12)6-10-16(14)2/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyDRNSQMHUXDZBPZ-UHFFFAOYSA-N
XLogP2.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
1-methyl-4-(5-propan-2-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
CID 70720903
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 70719790
4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
(1-methylindol-4-yl)-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-diphenylphosphanium
CID 177284136
1-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanol
CID 56907537
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylfuran-2-carboxamide
CID 70709602
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridazin-3-amine
CID 70728744
2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
CID 83832708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine (CID 169206758) is 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine is CC(c1ccnc2c1ccn2C)N1CCCC1.
What is the InChIKey of 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is DRNSQMHUXDZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(17-8-3-4-9-17)12-5-7-15-14-13(12)6-10-16(14)2/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 229.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 169206758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).