(8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C24H32N6 — CID 159098315

About (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 159098315) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 159098315
• Molecular Formula: C24H32N6
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.27
• IUPAC Name: (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(C)C1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)C1
• InChI: InChI=1S/C24H32N6/c1-27(2)20-12-14-29(17-20)23-11-5-10-22-26-19(16-30(22)23)15-28(3)21-9-4-7-18-8-6-13-25-24(18)21/h5-6,8,10-11,13,16,20-21H,4,7,9,12,14-15,17H2,1-3H3/t20?,21-/m0/s1
• InChIKey: KCYJZDNOWILGPM-LBAQZLPGSA-N
• XLogP: 3.38
• TPSA: 39.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 159098315) is (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

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

The canonical SMILES for (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(C)C1CCN(c2cccc3nc(CN(C)[C@H]4CCCc5cccnc54)cn23)C1.

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

The InChIKey is KCYJZDNOWILGPM-LBAQZLPGSA-N. The full InChI is InChI=1S/C24H32N6/c1-27(2)20-12-14-29(17-20)23-11-5-10-22-26-19(16-30(22)23)15-28(3)21-9-4-7-18-8-6-13-25-24(18)21/h5-6,8,10-11,13,16,20-21H,4,7,9,12,14-15,17H2,1-3H3/t20?,21-/m0/s1.

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

(8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 404.56 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-[[5-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 159098315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).