4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one

C22H22N8O2 — CID 170724540

IUPAC4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)nc3c2ncn3-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C22H22N8O2/c1-15-3-2-4-16(11-15)13-25-28-20-19-21(27-22(26-20)29-7-9-32-10-8-29)30(14-24-19)17-5-6-23-18(31)12-17/h2-6,11-14H,7-10H2,1H3,(H,23,31)(H,26,27,28)/b25-13+
InChIKeyPQBHNCKINKJNKR-DHRITJCHSA-N
MW430.47 g/mol
LogP2.09
Rot. Bonds5

About 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one

4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one (PubChem CID 170724540) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
PubChem CID170724540
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one
SMILESCc1cccc(/C=N/Nc2nc(N3CCOCC3)nc3c2ncn3-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C22H22N8O2/c1-15-3-2-4-16(11-15)13-25-28-20-19-21(27-22(26-20)29-7-9-32-10-8-29)30(14-24-19)17-5-6-23-18(31)12-17/h2-6,11-14H,7-10H2,1H3,(H,23,31)(H,26,27,28)/b25-13+
InChIKeyPQBHNCKINKJNKR-DHRITJCHSA-N
XLogP2.09
TPSA113.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-chlorophenyl)-N-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724614
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 170724712
N-[(E)-(3-methylphenyl)methylideneamino]-9-(3-methyl-1,2-thiazol-5-yl)-2-morpholin-4-ylpurin-6-amine
CID 170724779
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 170724562
N,N-dimethyl-4-[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide
CID 175967256
2-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 170724542
N-(3-chlorophenyl)-9-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-ylpurin-6-amine
CID 170724596
N-[(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-8-phenylquinazolin-4-amine
CID 170724764
9-(3-methylphenyl)-2-morpholin-4-yl-N-(naphthalen-1-ylmethyl)purin-6-amine
CID 118410510
(E)-1-(3-methylphenyl)-N-(2-morpholin-4-yl-6-phenylmethoxypurin-9-yl)methanimine
CID 170724680
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
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one (CID 170724540) is 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one is Cc1cccc(/C=N/Nc2nc(N3CCOCC3)nc3c2ncn3-c2cc[nH]c(=O)c2)c1.
What is the InChIKey of 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one?
The InChIKey is PQBHNCKINKJNKR-DHRITJCHSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-15-3-2-4-16(11-15)13-25-28-20-19-21(27-22(26-20)29-7-9-32-10-8-29)30(14-24-19)17-5-6-23-18(31)12-17/h2-6,11-14H,7-10H2,1H3,(H,23,31)(H,26,27,28)/b25-13+.
What are the key properties of 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one?
4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one has a molecular weight of 430.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-morpholin-4-ylpurin-9-yl]-1H-pyridin-2-one is sourced from PubChem (CID 170724540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).