1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone

C20H26N4O — CID 166261617

IUPAC1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC1CCCn2c(CC(=O)N3CC(CCN)c4ccccc43)cnc21
InChIInChI=1S/C20H26N4O/c1-14-5-4-10-23-16(12-22-20(14)23)11-19(25)24-13-15(8-9-21)17-6-2-3-7-18(17)24/h2-3,6-7,12,14-15H,4-5,8-11,13,21H2,1H3
InChIKeyBRBCYKSRUXRMIN-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone

1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 166261617) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID166261617
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC1CCCn2c(CC(=O)N3CC(CCN)c4ccccc43)cnc21
InChIInChI=1S/C20H26N4O/c1-14-5-4-10-23-16(12-22-20(14)23)11-19(25)24-13-15(8-9-21)17-6-2-3-7-18(17)24/h2-3,6-7,12,14-15H,4-5,8-11,13,21H2,1H3
InChIKeyBRBCYKSRUXRMIN-UHFFFAOYSA-N
XLogP2.80
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone (CID 166261617) is 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone is CC1CCCn2c(CC(=O)N3CC(CCN)c4ccccc43)cnc21.
What is the InChIKey of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is BRBCYKSRUXRMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-5-4-10-23-16(12-22-20(14)23)11-19(25)24-13-15(8-9-21)17-6-2-3-7-18(17)24/h2-3,6-7,12,14-15H,4-5,8-11,13,21H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 338.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 166261617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).