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

C25H28F2N6O2 — CID 172568987

IUPACN-[(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
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2nc(C3=CCCOC3)n(C)c2n1)c1ccc(F)c(C)c1F
InChIInChI=1S/C25H28F2N6O2/c1-15-19(26)7-6-18(22(15)27)16(2)30-31-21-13-20(33-8-11-34-12-9-33)23-25(28-21)32(3)24(29-23)17-5-4-10-35-14-17/h5-7,13H,4,8-12,14H2,1-3H3,(H,28,31)/b30-16+
InChIKeyZHDJWYAYHZDZOG-OKCVXOCRSA-N
MW482.54 g/mol
LogP4.03
Rot. Bonds5

About 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

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 (PubChem CID 172568987) has the molecular formula C25H28F2N6O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID172568987
Molecular FormulaC25H28F2N6O2
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC NameN-[(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
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2nc(C3=CCCOC3)n(C)c2n1)c1ccc(F)c(C)c1F
InChIInChI=1S/C25H28F2N6O2/c1-15-19(26)7-6-18(22(15)27)16(2)30-31-21-13-20(33-8-11-34-12-9-33)23-25(28-21)32(3)24(29-23)17-5-4-10-35-14-17/h5-7,13H,4,8-12,14H2,1-3H3,(H,28,31)/b30-16+
InChIKeyZHDJWYAYHZDZOG-OKCVXOCRSA-N
XLogP4.03
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.03
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'}

Analyze 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 with MolForge

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Related Compounds

N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568919
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
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
2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568891
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568762
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
3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568846
N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3409848
3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172569013
4-[9-methyl-2-morpholin-4-yl-8-(1H-pyrazol-5-yl)purin-6-yl]morpholine
CID 168920860

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=N\Nc1cc(N2CCOCC2)c2nc(C3=CCCOC3)n(C)c2n1)c1ccc(F)c(C)c1F.
What is the InChIKey of 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?
The InChIKey is ZHDJWYAYHZDZOG-OKCVXOCRSA-N. The full InChI is InChI=1S/C25H28F2N6O2/c1-15-19(26)7-6-18(22(15)27)16(2)30-31-21-13-20(33-8-11-34-12-9-33)23-25(28-21)32(3)24(29-23)17-5-4-10-35-14-17/h5-7,13H,4,8-12,14H2,1-3H3,(H,28,31)/b30-16+.
What are the key properties of 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?
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 has a molecular weight of 482.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172568987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).