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

C25H29N7O2 — CID 172568501

IUPAC3-[[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
SMILESCc1cccc(/C(N)=C/C=N/c2cc(N3CCOCC3)c3nc(COCCC#N)n(C)c3n2)c1
InChIInChI=1S/C25H29N7O2/c1-18-5-3-6-19(15-18)20(27)7-9-28-22-16-21(32-10-13-33-14-11-32)24-25(29-22)31(2)23(30-24)17-34-12-4-8-26/h3,5-7,9,15-16H,4,10-14,17,27H2,1-2H3/b20-7-,28-9+
InChIKeyUBVWIBIFARKCRO-QLXWUXFLSA-N
MW459.55 g/mol
LogP3.25
Rot. Bonds8

About 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

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 (PubChem CID 172568501) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID172568501
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name3-[[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
SMILESCc1cccc(/C(N)=C/C=N/c2cc(N3CCOCC3)c3nc(COCCC#N)n(C)c3n2)c1
InChIInChI=1S/C25H29N7O2/c1-18-5-3-6-19(15-18)20(27)7-9-28-22-16-21(32-10-13-33-14-11-32)24-25(29-22)31(2)23(30-24)17-34-12-4-8-26/h3,5-7,9,15-16H,4,10-14,17,27H2,1-2H3/b20-7-,28-9+
InChIKeyUBVWIBIFARKCRO-QLXWUXFLSA-N
XLogP3.25
TPSA114.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(Z)-1-[3-(8,9-dimethyl-6-morpholin-4-ylpurin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine
CID 168921019
2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568891
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
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-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
CID 172568867
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
(Z)-1-[3-(9-ethyl-7-methyl-6-morpholin-4-yl-8-pyridin-4-yl-8H-purin-2-yl)phenyl]-3-methyliminoprop-1-en-1-amine;methanol
CID 168921121
1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
CID 172568503
1-[2-(chloromethyl)-3-ethyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazole-5-carbaldehyde;methoxyethane
CID 172568572
(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
CID 170724680
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(/C(N)=C/C=N/c2cc(N3CCOCC3)c3nc(COCCC#N)n(C)c3n2)c1.
What is the InChIKey of 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?
The InChIKey is UBVWIBIFARKCRO-QLXWUXFLSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-18-5-3-6-19(15-18)20(27)7-9-28-22-16-21(32-10-13-33-14-11-32)24-25(29-22)31(2)23(30-24)17-34-12-4-8-26/h3,5-7,9,15-16H,4,10-14,17,27H2,1-2H3/b20-7-,28-9+.
What are the key properties of 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?
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 has a molecular weight of 459.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172568501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).