3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine

C26H35N7O — CID 172568734

IUPAC3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2nc(CN3CCCCC3)n(C)c2n1)c1cccc(C)c1
InChIInChI=1S/C26H35N7O/c1-19-8-7-9-21(16-19)20(2)29-30-23-17-22(33-12-14-34-15-13-33)25-26(27-23)31(3)24(28-25)18-32-10-5-4-6-11-32/h7-9,16-17H,4-6,10-15,18H2,1-3H3,(H,27,30)/b29-20+
InChIKeyLVEGXVGBMAIYIP-ZTKZIYFRSA-N
MW461.61 g/mol
LogP3.94
Rot. Bonds6

About 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine

3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 172568734) has the molecular formula C26H35N7O and a molecular weight of 461.61 g/mol. Its IUPAC name is 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine
PubChem CID172568734
Molecular FormulaC26H35N7O
Molecular Weight461.61 g/mol
Exact Mass461.29
IUPAC Name3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2nc(CN3CCCCC3)n(C)c2n1)c1cccc(C)c1
InChIInChI=1S/C26H35N7O/c1-19-8-7-9-21(16-19)20(2)29-30-23-17-22(33-12-14-34-15-13-33)25-26(27-23)31(3)24(28-25)18-32-10-5-4-6-11-32/h7-9,16-17H,4-6,10-15,18H2,1-3H3,(H,27,30)/b29-20+
InChIKeyLVEGXVGBMAIYIP-ZTKZIYFRSA-N
XLogP3.94
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568891
(5R)-5-[[5-[(2E)-2-[1-(3-methylphenyl)ethylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]-1-(trifluoromethyl)pyrrolidin-2-one
CID 172568990
4-[[5-[(2E)-2-[1-(3-methylphenyl)ethylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]-2-oxabicyclo[2.1.1]hexane-1-carbonitrile
CID 172568915
3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568846
3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
CID 172568867
N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568919
4-[9-methyl-2-(2-methylbenzimidazol-1-yl)-8-(piperidin-1-ylmethyl)purin-6-yl]morpholine
CID 69087746
3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172569013
4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568838
N-[(E)-1-(2,4-difluoro-3-methylphenyl)ethylideneamino]-2-(3,6-dihydro-2H-pyran-5-yl)-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568987
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
3-[[5-[[(Z)-3-amino-3-(3-methylphenyl)prop-2-enylidene]amino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]methoxy]propanenitrile
CID 172568501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine (CID 172568734) is 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine is C/C(=N\Nc1cc(N2CCOCC2)c2nc(CN3CCCCC3)n(C)c2n1)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is LVEGXVGBMAIYIP-ZTKZIYFRSA-N. The full InChI is InChI=1S/C26H35N7O/c1-19-8-7-9-21(16-19)20(2)29-30-23-17-22(33-12-14-34-15-13-33)25-26(27-23)31(3)24(28-25)18-32-10-5-4-6-11-32/h7-9,16-17H,4-6,10-15,18H2,1-3H3,(H,27,30)/b29-20+.
What are the key properties of 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine?
3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 461.61 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 172568734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).