6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one

C19H20N8O — CID 126864657

IUPAC6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C19H20N8O/c28-17-3-2-16(26-9-1-7-23-26)24-27(17)12-14-5-10-25(11-6-14)19-15-4-8-20-18(15)21-13-22-19/h1-4,7-9,13-14H,5-6,10-12H2,(H,20,21,22)
InChIKeyRGRXSONDJMILHR-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.62
Rot. Bonds4

About 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126864657) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126864657
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C19H20N8O/c28-17-3-2-16(26-9-1-7-23-26)24-27(17)12-14-5-10-25(11-6-14)19-15-4-8-20-18(15)21-13-22-19/h1-4,7-9,13-14H,5-6,10-12H2,(H,20,21,22)
InChIKeyRGRXSONDJMILHR-UHFFFAOYSA-N
XLogP1.62
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864581
3-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126854380
2-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864422
6-pyrazol-1-yl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864466
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 67249697
2-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864421
2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864265
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
3-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943787
2-[[1-(1,2,4-oxadiazol-5-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864477
2-[[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864560
1-[2-[4-[(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)methyl]piperidin-1-yl]ethyl]azepan-2-one
CID 126864542

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126864657) is 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(-n2cccn2)nn1CC1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is RGRXSONDJMILHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c28-17-3-2-16(26-9-1-7-23-26)24-27(17)12-14-5-10-25(11-6-14)19-15-4-8-20-18(15)21-13-22-19/h1-4,7-9,13-14H,5-6,10-12H2,(H,20,21,22).
What are the key properties of 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 376.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126864657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).