2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

C21H24N8O — CID 126864639

IUPAC2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCc1cc(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)n2nc(C)cc2n1
InChIInChI=1S/C21H24N8O/c1-15-13-20(29-19(23-15)12-16(2)24-29)26-10-6-17(7-11-26)14-28-21(30)5-4-18(25-28)27-9-3-8-22-27/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3
InChIKeyULPAFHOFBMGVSP-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.01
Rot. Bonds4

About 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one

2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126864639) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126864639
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCc1cc(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)n2nc(C)cc2n1
InChIInChI=1S/C21H24N8O/c1-15-13-20(29-19(23-15)12-16(2)24-29)26-10-6-17(7-11-26)14-28-21(30)5-4-18(25-28)27-9-3-8-22-27/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3
InChIKeyULPAFHOFBMGVSP-UHFFFAOYSA-N
XLogP2.01
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863098
2-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864422
2-[[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864581
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
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864265
6-pyrazol-1-yl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864466
2-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864315
2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916136
3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126854380
2-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864374

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126864639) is 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is Cc1cc(N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)n2nc(C)cc2n1.
What is the InChIKey of 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is ULPAFHOFBMGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-15-13-20(29-19(23-15)12-16(2)24-29)26-10-6-17(7-11-26)14-28-21(30)5-4-18(25-28)27-9-3-8-22-27/h3-5,8-9,12-13,17H,6-7,10-11,14H2,1-2H3.
What are the key properties of 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 404.48 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126864639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).