3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile

C18H18N8O — CID 126854380

IUPAC3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1
InChIInChI=1S/C18H18N8O/c19-12-15-18(21-8-7-20-15)24-10-4-14(5-11-24)13-26-17(27)3-2-16(23-26)25-9-1-6-22-25/h1-3,6-9,14H,4-5,10-11,13H2
InChIKeyIQUNOSGAUSYQOM-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.01
Rot. Bonds4

About 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126854380) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID126854380
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1
InChIInChI=1S/C18H18N8O/c19-12-15-18(21-8-7-20-15)24-10-4-14(5-11-24)13-26-17(27)3-2-16(23-26)25-9-1-6-22-25/h1-3,6-9,14H,4-5,10-11,13H2
InChIKeyIQUNOSGAUSYQOM-UHFFFAOYSA-N
XLogP1.01
TPSA105.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile with MolForge

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Related Compounds

2-[[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864581
6-pyrazol-1-yl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864466
6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864657
2-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864422
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864265
2-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864421
2-[[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864560
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864362
2-[[1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864477
2-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864435
2-[[1-(1,2-oxazol-5-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864517
2-[[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864375

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 126854380) is 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1.
What is the InChIKey of 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is IQUNOSGAUSYQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c19-12-15-18(21-8-7-20-15)24-10-4-14(5-11-24)13-26-17(27)3-2-16(23-26)25-9-1-6-22-25/h1-3,6-9,14H,4-5,10-11,13H2.
What are the key properties of 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 362.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126854380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).