N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

C23H32N6O — CID 71081058

About N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 71081058) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
• PubChem CID: 71081058
• Molecular Formula: C23H32N6O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.26
• IUPAC Name: N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
• SMILES: CCN(CCN(C)C)c1cccc2nc(CN(C)[C@H]3CCOc4cccnc43)cn12
• InChI: InChI=1S/C23H32N6O/c1-5-28(14-13-26(2)3)22-10-6-9-21-25-18(17-29(21)22)16-27(4)19-11-15-30-20-8-7-12-24-23(19)20/h6-10,12,17,19H,5,11,13-16H2,1-4H3/t19-/m0/s1
• InChIKey: UWOMERBIMYKGEI-IBGZPJMESA-N
• XLogP: 3.07
• TPSA: 49.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?

The IUPAC name of N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 71081058) is N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.

What is the SMILES notation for N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?

The canonical SMILES for N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCN(CCN(C)C)c1cccc2nc(CN(C)[C@H]3CCOc4cccnc43)cn12.

What is the InChIKey of N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?

The InChIKey is UWOMERBIMYKGEI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N6O/c1-5-28(14-13-26(2)3)22-10-6-9-21-25-18(17-29(21)22)16-27(4)19-11-15-30-20-8-7-12-24-23(19)20/h6-10,12,17,19H,5,11,13-16H2,1-4H3/t19-/m0/s1.

What are the key properties of N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?

N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 408.55 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[[[(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]methyl]imidazo[1,2-a]pyridin-5-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 71081058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).