3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine

C17H17N3O — CID 146401486

IUPAC3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccnc2[nH]cc(-c3ccc4c(c3)NCC4)c12
InChIInChI=1S/C17H17N3O/c1-2-21-15-6-8-19-17-16(15)13(10-20-17)12-4-3-11-5-7-18-14(11)9-12/h3-4,6,8-10,18H,2,5,7H2,1H3,(H,19,20)
InChIKeyZZCDZABBSUCJLZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.60
Rot. Bonds3

About 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine

3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 146401486) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID146401486
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccnc2[nH]cc(-c3ccc4c(c3)NCC4)c12
InChIInChI=1S/C17H17N3O/c1-2-21-15-6-8-19-17-16(15)13(10-20-17)12-4-3-11-5-7-18-14(11)9-12/h3-4,6,8-10,18H,2,5,7H2,1H3,(H,19,20)
InChIKeyZZCDZABBSUCJLZ-UHFFFAOYSA-N
XLogP3.60
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine (CID 146401486) is 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine is CCOc1ccnc2[nH]cc(-c3ccc4c(c3)NCC4)c12.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZZCDZABBSUCJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-21-15-6-8-19-17-16(15)13(10-20-17)12-4-3-11-5-7-18-14(11)9-12/h3-4,6,8-10,18H,2,5,7H2,1H3,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine?
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 146401486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).