3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine

C22H24N8O — CID 172568867

IUPAC3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)c3nc(-c4cn[nH]c4)n(C)c3n2)c1
InChIInChI=1S/C22H24N8O/c1-15-4-3-5-16(10-15)12-25-28-19-11-18(30-6-8-31-9-7-30)20-22(26-19)29(2)21(27-20)17-13-23-24-14-17/h3-5,10-14H,6-9H2,1-2H3,(H,23,24)(H,26,28)/b25-12+
InChIKeyACZIPHUUZFWXRV-BRJLIKDPSA-N
MW416.49 g/mol
LogP2.95
Rot. Bonds5

About 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine

3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 172568867) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID172568867
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)c3nc(-c4cn[nH]c4)n(C)c3n2)c1
InChIInChI=1S/C22H24N8O/c1-15-4-3-5-16(10-15)12-25-28-19-11-18(30-6-8-31-9-7-30)20-22(26-19)29(2)21(27-20)17-13-23-24-14-17/h3-5,10-14H,6-9H2,1-2H3,(H,23,24)(H,26,28)/b25-12+
InChIKeyACZIPHUUZFWXRV-BRJLIKDPSA-N
XLogP2.95
TPSA96.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
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
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
N-[(E)-(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 89103784
N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 70922163
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
CID 170724540
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 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) is 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)c3nc(-c4cn[nH]c4)n(C)c3n2)c1.
What is the InChIKey of 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is ACZIPHUUZFWXRV-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15-4-3-5-16(10-15)12-25-28-19-11-18(30-6-8-31-9-7-30)20-22(26-19)29(2)21(27-20)17-13-23-24-14-17/h3-5,10-14H,6-9H2,1-2H3,(H,23,24)(H,26,28)/b25-12+.
What are the key properties of 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine?
3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 416.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 172568867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).