1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone

C19H20F2N6O — CID 129266323

IUPAC1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1F
InChIInChI=1S/C19H20F2N6O/c1-11(2)27-10-14(9-23-27)24-17-7-16(19(12(3)28)26-25-17)22-8-13-5-4-6-15(20)18(13)21/h4-7,9-11H,8H2,1-3H3,(H2,22,24,25)
InChIKeyQEYVLMMUIGCWFR-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.09
Rot. Bonds7

About 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone

1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone (PubChem CID 129266323) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone
PubChem CID129266323
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1F
InChIInChI=1S/C19H20F2N6O/c1-11(2)27-10-14(9-23-27)24-17-7-16(19(12(3)28)26-25-17)22-8-13-5-4-6-15(20)18(13)21/h4-7,9-11H,8H2,1-3H3,(H2,22,24,25)
InChIKeyQEYVLMMUIGCWFR-UHFFFAOYSA-N
XLogP4.09
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone (CID 129266323) is 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1F.
What is the InChIKey of 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone?
The InChIKey is QEYVLMMUIGCWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-11(2)27-10-14(9-23-27)24-17-7-16(19(12(3)28)26-25-17)22-8-13-5-4-6-15(20)18(13)21/h4-7,9-11H,8H2,1-3H3,(H2,22,24,25).
What are the key properties of 1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone?
1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone has a molecular weight of 386.41 g/mol, XLogP of 4.09, 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-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone is sourced from PubChem (CID 129266323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).