2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine

C25H34N6O3 — CID 172568891

IUPAC2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESCOCCc1nc2c(N3CCOCC3)cc(N/N=C(\C)c3cccc(C)c3)nc2n1CCOC
InChIInChI=1S/C25H34N6O3/c1-18-6-5-7-20(16-18)19(2)28-29-22-17-21(30-9-14-34-15-10-30)24-25(26-22)31(11-13-33-4)23(27-24)8-12-32-3/h5-7,16-17H,8-15H2,1-4H3,(H,26,29)/b28-19+
InChIKeyWPPQFAKVQQYGFX-TURZUDJPSA-N
MW466.59 g/mol
LogP3.25
Rot. Bonds10

About 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine

2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (PubChem CID 172568891) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
PubChem CID172568891
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESCOCCc1nc2c(N3CCOCC3)cc(N/N=C(\C)c3cccc(C)c3)nc2n1CCOC
InChIInChI=1S/C25H34N6O3/c1-18-6-5-7-20(16-18)19(2)28-29-22-17-21(30-9-14-34-15-10-30)24-25(26-22)31(11-13-33-4)23(27-24)8-12-32-3/h5-7,16-17H,8-15H2,1-4H3,(H,26,29)/b28-19+
InChIKeyWPPQFAKVQQYGFX-TURZUDJPSA-N
XLogP3.25
TPSA86.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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
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
(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
N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568919
3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568846
3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172569013
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
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
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
N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3409848
1-[2-(chloromethyl)-3-ethyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazole-5-carbaldehyde;methoxyethane
CID 172568572

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (CID 172568891) is 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is COCCc1nc2c(N3CCOCC3)cc(N/N=C(\C)c3cccc(C)c3)nc2n1CCOC.
What is the InChIKey of 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is WPPQFAKVQQYGFX-TURZUDJPSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-18-6-5-7-20(16-18)19(2)28-29-22-17-21(30-9-14-34-15-10-30)24-25(26-22)31(11-13-33-4)23(27-24)8-12-32-3/h5-7,16-17H,8-15H2,1-4H3,(H,26,29)/b28-19+.
What are the key properties of 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 466.59 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 172568891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).