[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

C23H24N6O4 — CID 143178939

IUPAC[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(/C=N/Nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cn2)c(OC)n1
InChIInChI=1S/C23H24N6O4/c1-31-21-19(14-25-23(27-21)32-2)15-26-28-20-7-6-18(13-24-20)16-4-3-5-17(12-16)22(30)29-8-10-33-11-9-29/h3-7,12-15H,8-11H2,1-2H3,(H,24,28)/b26-15+
InChIKeyASVLPSIUQWRUJQ-CVKSISIWSA-N
MW448.48 g/mol
LogP2.47
Rot. Bonds7

About [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone

[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 143178939) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
PubChem CID143178939
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(/C=N/Nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cn2)c(OC)n1
InChIInChI=1S/C23H24N6O4/c1-31-21-19(14-25-23(27-21)32-2)15-26-28-20-7-6-18(13-24-20)16-4-3-5-17(12-16)22(30)29-8-10-33-11-9-29/h3-7,12-15H,8-11H2,1-2H3,(H,24,28)/b26-15+
InChIKeyASVLPSIUQWRUJQ-CVKSISIWSA-N
XLogP2.47
TPSA111.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone 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

[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[3-[6-[[(1E,3E,5E,7E)-6,8-dichloro-2-ethylnona-1,3,5,7-tetraenyl]amino]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 143178848
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 143540298
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-(2,6-dimethoxyphenyl)-5-[3-(morpholine-4-carbonyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 143540455
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
CID 56921253
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
CID 134801650
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
methyl 3-[2-[3-methylsulfanyl-6-(morpholine-4-carbonyl)indol-1-yl]pyrimidin-5-yl]benzoate;hydrate
CID 144998532

Frequently Asked Questions

What is the IUPAC name of [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone (CID 143178939) is [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is COc1ncc(/C=N/Nc2ccc(-c3cccc(C(=O)N4CCOCC4)c3)cn2)c(OC)n1.
What is the InChIKey of [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ASVLPSIUQWRUJQ-CVKSISIWSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-31-21-19(14-25-23(27-21)32-2)15-26-28-20-7-6-18(13-24-20)16-4-3-5-17(12-16)22(30)29-8-10-33-11-9-29/h3-7,12-15H,8-11H2,1-2H3,(H,24,28)/b26-15+.
What are the key properties of [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone?
[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 448.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 143178939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).