2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C20H24N6O — CID 126864229

IUPAC2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1
InChIInChI=1S/C20H24N6O/c1-14-2-5-19(27)26(22-14)13-15-6-9-24(10-7-15)20-18-12-17(16-3-4-16)23-25(18)11-8-21-20/h2,5,8,11-12,15-16H,3-4,6-7,9-10,13H2,1H3
InChIKeyBQPKDPCVMWDEND-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.39
Rot. Bonds4

About 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864229) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864229
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1
InChIInChI=1S/C20H24N6O/c1-14-2-5-19(27)26(22-14)13-15-6-9-24(10-7-15)20-18-12-17(16-3-4-16)23-25(18)11-8-21-20/h2,5,8,11-12,15-16H,3-4,6-7,9-10,13H2,1H3
InChIKeyBQPKDPCVMWDEND-UHFFFAOYSA-N
XLogP2.39
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-cyclopropyl-4-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171705340
1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azepan-4-ol
CID 171691218
2-cyclopropyl-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830210
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880
2-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171995086
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
2-cyclopropyl-4-[3-(fluoromethyl)azetidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 171994745
2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864188
N-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881969
4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 126863928

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864229) is 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3nccn4nc(C5CC5)cc34)CC2)n1.
What is the InChIKey of 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is BQPKDPCVMWDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-2-5-19(27)26(22-14)13-15-6-9-24(10-7-15)20-18-12-17(16-3-4-16)23-25(18)11-8-21-20/h2,5,8,11-12,15-16H,3-4,6-7,9-10,13H2,1H3.
What are the key properties of 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).