2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

C18H24N8O — CID 126931091

IUPAC2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCCCC2CNc2ncnc3nc[nH]c23)ccc1=O
InChIInChI=1S/C18H24N8O/c1-12(2)26-15(27)7-6-14(24-26)25-8-4-3-5-13(25)9-19-17-16-18(21-10-20-16)23-11-22-17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyVLIYNDJITMAUCU-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.96
Rot. Bonds5

About 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126931091) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126931091
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCCCC2CNc2ncnc3nc[nH]c23)ccc1=O
InChIInChI=1S/C18H24N8O/c1-12(2)26-15(27)7-6-14(24-26)25-8-4-3-5-13(25)9-19-17-16-18(21-10-20-16)23-11-22-17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyVLIYNDJITMAUCU-UHFFFAOYSA-N
XLogP1.96
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931157
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
6-[2-[[(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931232
6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931127
6-[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931098
6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931106
2-propan-2-yl-6-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931096
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163352034
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 126931091) is 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is CC(C)n1nc(N2CCCCC2CNc2ncnc3nc[nH]c23)ccc1=O.
What is the InChIKey of 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is VLIYNDJITMAUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-12(2)26-15(27)7-6-14(24-26)25-8-4-3-5-13(25)9-19-17-16-18(21-10-20-16)23-11-22-17/h6-7,10-13H,3-5,8-9H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 368.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126931091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).