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-methyl-N-propan-2-ylethane-1,2-diamine

C25H36N6O — CID 71081150

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-methyl-N-propan-2-ylethane-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-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 71081150) has the molecular formula C25H36N6O and a molecular weight of 436.60 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-methyl-N-propan-2-ylethane-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-methyl-N-propan-2-ylethane-1,2-diamine
• PubChem CID: 71081150
• Molecular Formula: C25H36N6O
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.30
• 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-methyl-N-propan-2-ylethane-1,2-diamine
• SMILES: CCN(CCN(C)C(C)C)c1cccc2nc(CN(C)[C@H]3CCOc4cccnc43)cn12
• InChI: InChI=1S/C25H36N6O/c1-6-30(15-14-28(4)19(2)3)24-11-7-10-23-27-20(18-31(23)24)17-29(5)21-12-16-32-22-9-8-13-26-25(21)22/h7-11,13,18-19,21H,6,12,14-17H2,1-5H3/t21-/m0/s1
• InChIKey: IKNIBDXKNIMIBY-NRFANRHFSA-N
• XLogP: 3.85
• TPSA: 49.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	3.85
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-methyl-N-propan-2-ylethane-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-methyl-N-propan-2-ylethane-1,2-diamine (CID 71081150) 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-methyl-N-propan-2-ylethane-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-methyl-N-propan-2-ylethane-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-methyl-N-propan-2-ylethane-1,2-diamine is CCN(CCN(C)C(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-methyl-N-propan-2-ylethane-1,2-diamine?

The InChIKey is IKNIBDXKNIMIBY-NRFANRHFSA-N. The full InChI is InChI=1S/C25H36N6O/c1-6-30(15-14-28(4)19(2)3)24-11-7-10-23-27-20(18-31(23)24)17-29(5)21-12-16-32-22-9-8-13-26-25(21)22/h7-11,13,18-19,21H,6,12,14-17H2,1-5H3/t21-/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-methyl-N-propan-2-ylethane-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-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 436.60 g/mol, XLogP of 3.85, 9 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-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 71081150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).