3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H18N4 — CID 83672707

IUPAC3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCn1cnc2c1C(c1c[nH]c3ccccc13)NCC2
InChIInChI=1S/C16H18N4/c1-2-20-10-19-14-7-8-17-15(16(14)20)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10,15,17-18H,2,7-8H2,1H3
InChIKeyUHIYQCAEHQTOOS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.62
Rot. Bonds2

About 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 83672707) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID83672707
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCn1cnc2c1C(c1c[nH]c3ccccc13)NCC2
InChIInChI=1S/C16H18N4/c1-2-20-10-19-14-7-8-17-15(16(14)20)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10,15,17-18H,2,7-8H2,1H3
InChIKeyUHIYQCAEHQTOOS-UHFFFAOYSA-N
XLogP2.62
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
3-(3-methylpiperazin-2-yl)-1H-indole
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(1S)-7-bromo-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 125434619
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
CID 136580194
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
N-ethyl-4-(1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)piperidin-1-amine
CID 143927617

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 83672707) is 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCn1cnc2c1C(c1c[nH]c3ccccc13)NCC2.
What is the InChIKey of 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UHIYQCAEHQTOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-20-10-19-14-7-8-17-15(16(14)20)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10,15,17-18H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 266.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1H-indol-3-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 83672707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).