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

C20H24N6OS — CID 155798860

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)n1
InChIInChI=1S/C20H24N6OS/c1-13-6-9-21-20(22-13)25-10-7-16(8-11-25)12-26-18(27)5-4-17(24-26)19-14(2)23-15(3)28-19/h4-6,9,16H,7-8,10-12H2,1-3H3
InChIKeyBPOAMRUAYVMXPC-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.00
Rot. Bonds4

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

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 155798860) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID155798860
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1ccnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)n1
InChIInChI=1S/C20H24N6OS/c1-13-6-9-21-20(22-13)25-10-7-16(8-11-25)12-26-18(27)5-4-17(24-26)19-14(2)23-15(3)28-19/h4-6,9,16H,7-8,10-12H2,1-3H3
InChIKeyBPOAMRUAYVMXPC-UHFFFAOYSA-N
XLogP3.00
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[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-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799568
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
[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 103278999
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 163344842
2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
6-cyclopropyl-2-[[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865301
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 155798860) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-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-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is Cc1ccnc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)n1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is BPOAMRUAYVMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-6-9-21-20(22-13)25-10-7-16(8-11-25)12-26-18(27)5-4-17(24-26)19-14(2)23-15(3)28-19/h4-6,9,16H,7-8,10-12H2,1-3H3.
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 396.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 155798860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).