N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine

C22H30N6O — CID 11574762

IUPACN'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1cccc2nc(CN(C)C3CCOc4cccnc43)cn12
InChIInChI=1S/C22H30N6O/c1-25(2)12-13-26(3)21-9-5-8-20-24-17(16-28(20)21)15-27(4)18-10-14-29-19-7-6-11-23-22(18)19/h5-9,11,16,18H,10,12-15H2,1-4H3
InChIKeyHWFAYFXHYTYUFG-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.68
Rot. Bonds7

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

N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 11574762) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID11574762
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1cccc2nc(CN(C)C3CCOc4cccnc43)cn12
InChIInChI=1S/C22H30N6O/c1-25(2)12-13-26(3)21-9-5-8-20-24-17(16-28(20)21)15-27(4)18-10-14-29-19-7-6-11-23-22(18)19/h5-9,11,16,18H,10,12-15H2,1-4H3
InChIKeyHWFAYFXHYTYUFG-UHFFFAOYSA-N
XLogP2.68
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 11574762) is N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1cccc2nc(CN(C)C3CCOc4cccnc43)cn12.
What is the InChIKey of N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is HWFAYFXHYTYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-25(2)12-13-26(3)21-9-5-8-20-24-17(16-28(20)21)15-27(4)18-10-14-29-19-7-6-11-23-22(18)19/h5-9,11,16,18H,10,12-15H2,1-4H3.
What are the key properties of N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 394.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-a]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 11574762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).