1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C18H26N6O — CID 56778586

IUPAC1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1ccc(NC2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)nn1
InChIInChI=1S/C18H26N6O/c1-12-5-6-17(21-20-12)19-15-7-9-24(10-8-15)18(25)11-16-13(2)22-23(4)14(16)3/h5-6,15H,7-11H2,1-4H3,(H,19,21)
InChIKeyGWXQKRMZCBUKCP-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.78
Rot. Bonds4

About 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 56778586) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID56778586
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1ccc(NC2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)nn1
InChIInChI=1S/C18H26N6O/c1-12-5-6-17(21-20-12)19-15-7-9-24(10-8-15)18(25)11-16-13(2)22-23(4)14(16)3/h5-6,15H,7-11H2,1-4H3,(H,19,21)
InChIKeyGWXQKRMZCBUKCP-UHFFFAOYSA-N
XLogP1.78
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 56778586) is 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1ccc(NC2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)nn1.
What is the InChIKey of 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is GWXQKRMZCBUKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12-5-6-17(21-20-12)19-15-7-9-24(10-8-15)18(25)11-16-13(2)22-23(4)14(16)3/h5-6,15H,7-11H2,1-4H3,(H,19,21).
What are the key properties of 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 342.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 56778586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).