N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine

C19H20ClFN6O — CID 172568919

IUPACN-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2ncn(C)c2n1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN6O/c1-12(13-3-4-15(21)14(20)9-13)24-25-17-10-16(27-5-7-28-8-6-27)18-19(23-17)26(2)11-22-18/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)/b24-12+
InChIKeyZDKNOOULKRGJAU-WYMPLXKRSA-N
MW402.86 g/mol
LogP3.43
Rot. Bonds4

About N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine

N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (PubChem CID 172568919) has the molecular formula C19H20ClFN6O and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
PubChem CID172568919
Molecular FormulaC19H20ClFN6O
Molecular Weight402.86 g/mol
Exact Mass402.14
IUPAC NameN-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2ncn(C)c2n1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN6O/c1-12(13-3-4-15(21)14(20)9-13)24-25-17-10-16(27-5-7-28-8-6-27)18-19(23-17)26(2)11-22-18/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)/b24-12+
InChIKeyZDKNOOULKRGJAU-WYMPLXKRSA-N
XLogP3.43
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(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
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
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
(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
2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568891
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
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3409848
3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 9174902
5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine
CID 59353190
2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (CID 172568919) is N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is C/C(=N\Nc1cc(N2CCOCC2)c2ncn(C)c2n1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is ZDKNOOULKRGJAU-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H20ClFN6O/c1-12(13-3-4-15(21)14(20)9-13)24-25-17-10-16(27-5-7-28-8-6-27)18-19(23-17)26(2)11-22-18/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)/b24-12+.
What are the key properties of N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 402.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 172568919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).