6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one

C20H22N8OS — CID 155799568

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5nc[nH]c45)CC3)n2)s1
InChIInChI=1S/C20H22N8OS/c1-12-18(30-13(2)25-12)15-3-4-16(29)28(26-15)9-14-5-7-27(8-6-14)20-17-19(22-10-21-17)23-11-24-20/h3-4,10-11,14H,5-9H2,1-2H3,(H,21,22,23,24)
InChIKeyOYUHDGGVXCFXLR-UHFFFAOYSA-N
MW422.52 g/mol
LogP2.57
Rot. Bonds4

About 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 155799568) has the molecular formula C20H22N8OS and a molecular weight of 422.52 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID155799568
Molecular FormulaC20H22N8OS
Molecular Weight422.52 g/mol
Exact Mass422.16
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5nc[nH]c45)CC3)n2)s1
InChIInChI=1S/C20H22N8OS/c1-12-18(30-13(2)25-12)15-3-4-16(29)28(26-15)9-14-5-7-27(8-6-14)20-17-19(22-10-21-17)23-11-24-20/h3-4,10-11,14H,5-9H2,1-2H3,(H,21,22,23,24)
InChIKeyOYUHDGGVXCFXLR-UHFFFAOYSA-N
XLogP2.57
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155798861
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155798860
6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 155798913
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799268
5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941163
2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864788
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 163344842
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163352034
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864188
6-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-7H-purine
CID 67232922

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 155799568) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5nc[nH]c45)CC3)n2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is OYUHDGGVXCFXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8OS/c1-12-18(30-13(2)25-12)15-3-4-16(29)28(26-15)9-14-5-7-27(8-6-14)20-17-19(22-10-21-17)23-11-24-20/h3-4,10-11,14H,5-9H2,1-2H3,(H,21,22,23,24).
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 422.52 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 155799568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).