4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C14H17N3 — CID 143483360

IUPAC4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1ccnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C14H17N3/c1-2-10-5-8-16-14-12(10)9-13(17-14)11-3-6-15-7-4-11/h3,5,8-9,15H,2,4,6-7H2,1H3,(H,16,17)
InChIKeyTVPDEIUDIXCJQN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.50
Rot. Bonds2

About 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143483360) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID143483360
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1ccnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C14H17N3/c1-2-10-5-8-16-14-12(10)9-13(17-14)11-3-6-15-7-4-11/h3,5,8-9,15H,2,4,6-7H2,1H3,(H,16,17)
InChIKeyTVPDEIUDIXCJQN-UHFFFAOYSA-N
XLogP2.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 143483360) is 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCc1ccnc2[nH]c(C3=CCNCC3)cc12.
What is the InChIKey of 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is TVPDEIUDIXCJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-10-5-8-16-14-12(10)9-13(17-14)11-3-6-15-7-4-11/h3,5,8-9,15H,2,4,6-7H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 227.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143483360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).