1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

C16H23N3O — CID 66412633

IUPAC1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCC2CCCO2)c2ncccc12
InChIInChI=1S/C16H23N3O/c1-12(17)10-13-11-19(8-6-14-4-3-9-20-14)16-15(13)5-2-7-18-16/h2,5,7,11-12,14H,3-4,6,8-10,17H2,1H3
InChIKeyHFNPISRELFOGHU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds5

About 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (PubChem CID 66412633) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
PubChem CID66412633
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCC2CCCO2)c2ncccc12
InChIInChI=1S/C16H23N3O/c1-12(17)10-13-11-19(8-6-14-4-3-9-20-14)16-15(13)5-2-7-18-16/h2,5,7,11-12,14H,3-4,6,8-10,17H2,1H3
InChIKeyHFNPISRELFOGHU-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66411455
[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415489
1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66410681
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412632
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 79263659
2-[1-[[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66410874
1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine
CID 66412246
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
1-[3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 114705093
1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
CID 66410879

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (CID 66412633) is 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is CC(N)Cc1cn(CCC2CCCO2)c2ncccc12.
What is the InChIKey of 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The InChIKey is HFNPISRELFOGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(17)10-13-11-19(8-6-14-4-3-9-20-14)16-15(13)5-2-7-18-16/h2,5,7,11-12,14H,3-4,6,8-10,17H2,1H3.
What are the key properties of 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 66412633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).