5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C16H19BrN2 — CID 126455284

IUPAC5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCC(C)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H19BrN2/c1-11(2)19-7-5-12(6-8-19)15-10-18-16-4-3-13(17)9-14(15)16/h3-5,9-11,18H,6-8H2,1-2H3
InChIKeyJVCHQHVGHQPHST-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.43
Rot. Bonds2

About 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 126455284) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID126455284
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCC(C)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C16H19BrN2/c1-11(2)19-7-5-12(6-8-19)15-10-18-16-4-3-13(17)9-14(15)16/h3-5,9-11,18H,6-8H2,1-2H3
InChIKeyJVCHQHVGHQPHST-UHFFFAOYSA-N
XLogP4.43
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 126455284) is 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CC(C)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is JVCHQHVGHQPHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11(2)19-7-5-12(6-8-19)15-10-18-16-4-3-13(17)9-14(15)16/h3-5,9-11,18H,6-8H2,1-2H3.
What are the key properties of 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 319.25 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 126455284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).