[1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium

C25H35N6O+ — CID 143196505

About [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium

[1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium (PubChem CID 143196505) has the molecular formula C25H35N6O+ and a molecular weight of 435.60 g/mol. Its IUPAC name is [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium.

Molecular Properties

• Compound Name: [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium
• PubChem CID: 143196505
• Molecular Formula: C25H35N6O+
• Molecular Weight: 435.60 g/mol
• Exact Mass: 435.29
• IUPAC Name: [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium
• SMILES: CN(Cc1nc2cccc(N3CCC([NH+](C)C)C3)n2c1CO)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C25H34N6O/c1-28(2)19-12-14-30(15-19)24-11-5-10-23-27-20(22(17-32)31(23)24)16-29(3)21-9-4-7-18-8-6-13-26-25(18)21/h5-6,8,10-11,13,19,21,32H,4,7,9,12,14-17H2,1-3H3/p+1/t19?,21-/m0/s1
• InChIKey: CZWUXDXQKLXFBS-QWAKEFERSA-O
• XLogP: 1.45
• TPSA: 61.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.60
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium?

The IUPAC name of [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium (CID 143196505) is [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium.

What is the SMILES notation for [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium?

The canonical SMILES for [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium is CN(Cc1nc2cccc(N3CCC([NH+](C)C)C3)n2c1CO)[C@H]1CCCc2cccnc21.

What is the InChIKey of [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium?

The InChIKey is CZWUXDXQKLXFBS-QWAKEFERSA-O. The full InChI is InChI=1S/C25H34N6O/c1-28(2)19-12-14-30(15-19)24-11-5-10-23-27-20(22(17-32)31(23)24)16-29(3)21-9-4-7-18-8-6-13-26-25(18)21/h5-6,8,10-11,13,19,21,32H,4,7,9,12,14-17H2,1-3H3/p+1/t19?,21-/m0/s1.

What are the key properties of [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium?

[1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium has a molecular weight of 435.60 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-(hydroxymethyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-5-yl]pyrrolidin-3-yl]-dimethylazanium is sourced from PubChem (CID 143196505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).