1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile

C23H25N7O — CID 172568809

IUPAC1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)c3ncn(CC4(C#N)CC4)c3n2)c1
InChIInChI=1S/C23H25N7O/c1-17-3-2-4-18(11-17)13-26-28-20-12-19(29-7-9-31-10-8-29)21-22(27-20)30(16-25-21)15-23(14-24)5-6-23/h2-4,11-13,16H,5-10,15H2,1H3,(H,27,28)/b26-13+
InChIKeyFKXZHPKJZBZZBS-LGJNPRDNSA-N
MW415.50 g/mol
LogP3.33
Rot. Bonds6

About 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile

1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile (PubChem CID 172568809) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
PubChem CID172568809
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)c3ncn(CC4(C#N)CC4)c3n2)c1
InChIInChI=1S/C23H25N7O/c1-17-3-2-4-18(11-17)13-26-28-20-12-19(29-7-9-31-10-8-29)21-22(27-20)30(16-25-21)15-23(14-24)5-6-23/h2-4,11-13,16H,5-10,15H2,1H3,(H,27,28)/b26-13+
InChIKeyFKXZHPKJZBZZBS-LGJNPRDNSA-N
XLogP3.33
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.33
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

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-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
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
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine
CID 59673970
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
CID 59673873

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile (CID 172568809) is 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)c3ncn(CC4(C#N)CC4)c3n2)c1.
What is the InChIKey of 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is FKXZHPKJZBZZBS-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H25N7O/c1-17-3-2-4-18(11-17)13-26-28-20-12-19(29-7-9-31-10-8-29)21-22(27-20)30(16-25-21)15-23(14-24)5-6-23/h2-4,11-13,16H,5-10,15H2,1H3,(H,27,28)/b26-13+.
What are the key properties of 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile?
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 172568809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).