1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone

C23H23F2N5O2 — CID 129266265

IUPAC1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1F
InChIInChI=1S/C23H23F2N5O2/c1-15(31)23-20(26-14-16-3-2-4-19(24)22(16)25)13-21(28-29-23)27-17-5-7-18(8-6-17)30-9-11-32-12-10-30/h2-8,13H,9-12,14H2,1H3,(H2,26,27,28)
InChIKeyHNDPRAZEGGGOKI-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.15
Rot. Bonds7

About 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone

1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone (PubChem CID 129266265) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
PubChem CID129266265
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1F
InChIInChI=1S/C23H23F2N5O2/c1-15(31)23-20(26-14-16-3-2-4-19(24)22(16)25)13-21(28-29-23)27-17-5-7-18(8-6-17)30-9-11-32-12-10-30/h2-8,13H,9-12,14H2,1H3,(H2,26,27,28)
InChIKeyHNDPRAZEGGGOKI-UHFFFAOYSA-N
XLogP4.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone
CID 129266333
1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone
CID 129266323
1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone
CID 129266294
6-[4-[4-(2-cyanoacetyl)piperazin-1-yl]anilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67423885
6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 118320668
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-pyridin-3-ylphenyl)methylamino]pyridazine-3-carboxamide
CID 118320686
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
1-[4-[(3-fluorophenyl)methylamino]-6-[(6-piperazin-1-yl-3-pyridinyl)amino]pyridazin-3-yl]ethanone
CID 129266285
4-[(3,5-difluorophenyl)methylamino]-2-methoxy-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 67423490
2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?
The IUPAC name of 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone (CID 129266265) is 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1F.
What is the InChIKey of 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?
The InChIKey is HNDPRAZEGGGOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-15(31)23-20(26-14-16-3-2-4-19(24)22(16)25)13-21(28-29-23)27-17-5-7-18(8-6-17)30-9-11-32-12-10-30/h2-8,13H,9-12,14H2,1H3,(H2,26,27,28).
What are the key properties of 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?
1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone has a molecular weight of 439.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 129266265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).