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

C22H25FN4OS — CID 163344842

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCN(Cc4cccc(F)c4)CC3)n2)s1
InChIInChI=1S/C22H25FN4OS/c1-15-22(29-16(2)24-15)20-6-7-21(28)27(25-20)14-17-8-10-26(11-9-17)13-18-4-3-5-19(23)12-18/h3-7,12,17H,8-11,13-14H2,1-2H3
InChIKeyJSMQZOZKEKZXCQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.03
Rot. Bonds5

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

6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 163344842) has the molecular formula C22H25FN4OS and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID163344842
Molecular FormulaC22H25FN4OS
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCN(Cc4cccc(F)c4)CC3)n2)s1
InChIInChI=1S/C22H25FN4OS/c1-15-22(29-16(2)24-15)20-6-7-21(28)27(25-20)14-17-8-10-26(11-9-17)13-18-4-3-5-19(23)12-18/h3-7,12,17H,8-11,13-14H2,1-2H3
InChIKeyJSMQZOZKEKZXCQ-UHFFFAOYSA-N
XLogP4.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799568
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
2-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863952
2-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863512
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 127265450

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 163344842) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(Cc4cccc(F)c4)CC3)n2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is JSMQZOZKEKZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS/c1-15-22(29-16(2)24-15)20-6-7-21(28)27(25-20)14-17-8-10-26(11-9-17)13-18-4-3-5-19(23)12-18/h3-7,12,17H,8-11,13-14H2,1-2H3.
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 412.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 163344842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).