3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine

C23H26F2N6O2 — CID 172569013

IUPAC3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2ncn(CC3CC3)c2n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C23H26F2N6O2/c1-15(17-3-2-4-18(11-17)33-23(24)25)28-29-20-12-19(30-7-9-32-10-8-30)21-22(27-20)31(14-26-21)13-16-5-6-16/h2-4,11-12,14,16,23H,5-10,13H2,1H3,(H,27,29)/b28-15+
InChIKeyYBGNWGSGBDWIOX-RWPZCVJISA-N
MW456.50 g/mol
LogP4.12
Rot. Bonds8

About 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine

3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (PubChem CID 172569013) has the molecular formula C23H26F2N6O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
PubChem CID172569013
Molecular FormulaC23H26F2N6O2
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Name3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2ncn(CC3CC3)c2n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C23H26F2N6O2/c1-15(17-3-2-4-18(11-17)33-23(24)25)28-29-20-12-19(30-7-9-32-10-8-30)21-22(27-20)31(14-26-21)13-16-5-6-16/h2-4,11-12,14,16,23H,5-10,13H2,1H3,(H,27,29)/b28-15+
InChIKeyYBGNWGSGBDWIOX-RWPZCVJISA-N
XLogP4.12
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.12
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

3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568846
(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
N-[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]-3-methyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568919
2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568891
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809
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
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824051
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (CID 172569013) is 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is C/C(=N\Nc1cc(N2CCOCC2)c2ncn(CC3CC3)c2n1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is YBGNWGSGBDWIOX-RWPZCVJISA-N. The full InChI is InChI=1S/C23H26F2N6O2/c1-15(17-3-2-4-18(11-17)33-23(24)25)28-29-20-12-19(30-7-9-32-10-8-30)21-22(27-20)31(14-26-21)13-16-5-6-16/h2-4,11-12,14,16,23H,5-10,13H2,1H3,(H,27,29)/b28-15+.
What are the key properties of 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 456.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-[(E)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 172569013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).