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

C18H25N3O — CID 110245611

IUPAC2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)cc(C1CCOCC1)n2CCN1CCCC1
InChIInChI=1S/C18H25N3O/c1-2-9-20(8-1)10-11-21-17(15-5-12-22-13-6-15)14-16-4-3-7-19-18(16)21/h3-4,7,14-15H,1-2,5-6,8-13H2
InChIKeyLYTIPAPFYNKZAL-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.03
Rot. Bonds4

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

2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine (PubChem CID 110245611) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
PubChem CID110245611
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)cc(C1CCOCC1)n2CCN1CCCC1
InChIInChI=1S/C18H25N3O/c1-2-9-20(8-1)10-11-21-17(15-5-12-22-13-6-15)14-16-4-3-7-19-18(16)21/h3-4,7,14-15H,1-2,5-6,8-13H2
InChIKeyLYTIPAPFYNKZAL-UHFFFAOYSA-N
XLogP3.03
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-[(2R)-oxolan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]ethyl]morpholine;hydrochloride
CID 127022714
4-[2-(2-pyrrolidin-2-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117162702
4-[2-(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117160602
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
CID 165433195
3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 3072034
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
CID 144829094
3-[3-(2-piperidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159774
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
CID 68897805
N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433196
3-[2-(4-phenylpiperidin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15745413

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine (CID 110245611) is 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine is c1cnc2c(c1)cc(C1CCOCC1)n2CCN1CCCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is LYTIPAPFYNKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-9-20(8-1)10-11-21-17(15-5-12-22-13-6-15)14-16-4-3-7-19-18(16)21/h3-4,7,14-15H,1-2,5-6,8-13H2.
What are the key properties of 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine?
2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 110245611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).