2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

C19H26N6O2 — CID 126864435

IUPAC2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=C1CCCC(CN2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)N1
InChIInChI=1S/C19H26N6O2/c26-18-4-1-3-16(21-18)14-23-11-7-15(8-12-23)13-25-19(27)6-5-17(22-25)24-10-2-9-20-24/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2,(H,21,26)
InChIKeyJHDOXRNKMCNNKU-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.81
Rot. Bonds5

About 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126864435) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126864435
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=C1CCCC(CN2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)N1
InChIInChI=1S/C19H26N6O2/c26-18-4-1-3-16(21-18)14-23-11-7-15(8-12-23)13-25-19(27)6-5-17(22-25)24-10-2-9-20-24/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2,(H,21,26)
InChIKeyJHDOXRNKMCNNKU-UHFFFAOYSA-N
XLogP0.81
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864375
2-[[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864560
6-pyrazol-1-yl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864466
2-[[1-[2-(2-oxopiperidin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864543
2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864442
1-[2-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]ethyl]azepan-2-one
CID 126864542
2-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864421
2-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864517
6-pyrazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864509
2-[[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864526
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864265
6-pyrazol-1-yl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864521

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126864435) is 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is O=C1CCCC(CN2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)N1.
What is the InChIKey of 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is JHDOXRNKMCNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-18-4-1-3-16(21-18)14-23-11-7-15(8-12-23)13-25-19(27)6-5-17(22-25)24-10-2-9-20-24/h2,5-6,9-10,15-16H,1,3-4,7-8,11-14H2,(H,21,26).
What are the key properties of 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 370.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126864435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).