1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone

C23H23FN6O2 — CID 129266295

IUPAC1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)cn2)cc1NCc1cccc(F)c1
InChIInChI=1S/C23H23FN6O2/c1-15(31)22-19(25-13-16-5-4-6-18(24)11-16)12-21(28-29-22)27-20-8-7-17(14-26-20)23(32)30-9-2-3-10-30/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H2,25,26,27,28)
InChIKeyGYGVQQBIRJTFTG-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.81
Rot. Bonds7

About 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone

1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone (PubChem CID 129266295) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone
PubChem CID129266295
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)cn2)cc1NCc1cccc(F)c1
InChIInChI=1S/C23H23FN6O2/c1-15(31)22-19(25-13-16-5-4-6-18(24)11-16)12-21(28-29-22)27-20-8-7-17(14-26-20)23(32)30-9-2-3-10-30/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H2,25,26,27,28)
InChIKeyGYGVQQBIRJTFTG-UHFFFAOYSA-N
XLogP3.81
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone (CID 129266295) is 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(C(=O)N3CCCC3)cn2)cc1NCc1cccc(F)c1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone?
The InChIKey is GYGVQQBIRJTFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-15(31)22-19(25-13-16-5-4-6-18(24)11-16)12-21(28-29-22)27-20-8-7-17(14-26-20)23(32)30-9-2-3-10-30/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H2,25,26,27,28).
What are the key properties of 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone?
1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone has a molecular weight of 434.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methylamino]-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]pyridazin-3-yl]ethanone is sourced from PubChem (CID 129266295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).