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

C25H30N6O — CID 172568846

IUPAC3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2ncn(CC3CC3)c2n1)c1cccc(C2CC2)c1
InChIInChI=1S/C25H30N6O/c1-17(20-3-2-4-21(13-20)19-7-8-19)28-29-23-14-22(30-9-11-32-12-10-30)24-25(27-23)31(16-26-24)15-18-5-6-18/h2-4,13-14,16,18-19H,5-12,15H2,1H3,(H,27,29)/b28-17+
InChIKeyDQGVEQCZEROVIR-OGLMXYFKSA-N
MW430.56 g/mol
LogP4.39
Rot. Bonds7

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

3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (PubChem CID 172568846) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
PubChem CID172568846
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
SMILESC/C(=N\Nc1cc(N2CCOCC2)c2ncn(CC3CC3)c2n1)c1cccc(C2CC2)c1
InChIInChI=1S/C25H30N6O/c1-17(20-3-2-4-21(13-20)19-7-8-19)28-29-23-14-22(30-9-11-32-12-10-30)24-25(27-23)31(16-26-24)15-18-5-6-18/h2-4,13-14,16,18-19H,5-12,15H2,1H3,(H,27,29)/b28-17+
InChIKeyDQGVEQCZEROVIR-OGLMXYFKSA-N
XLogP4.39
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.39
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-(difluoromethoxy)phenyl]ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172569013
(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
4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568535
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
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
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
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
4-[6-(3H-benzimidazol-5-yl)-9-(cyclopropylmethyl)purin-2-yl]morpholine
CID 58102437
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine (CID 172568846) is 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is C/C(=N\Nc1cc(N2CCOCC2)c2ncn(CC3CC3)c2n1)c1cccc(C2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is DQGVEQCZEROVIR-OGLMXYFKSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17(20-3-2-4-21(13-20)19-7-8-19)28-29-23-14-22(30-9-11-32-12-10-30)24-25(27-23)31(16-26-24)15-18-5-6-18/h2-4,13-14,16,18-19H,5-12,15H2,1H3,(H,27,29)/b28-17+.
What are the key properties of 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine?
3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 430.56 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 172568846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).