6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile

C21H22N6OS — CID 155798913

IUPAC6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ccc(C#N)cn4)CC3)n2)s1
InChIInChI=1S/C21H22N6OS/c1-14-21(29-15(2)24-14)18-4-6-20(28)27(25-18)13-16-7-9-26(10-8-16)19-5-3-17(11-22)12-23-19/h3-6,12,16H,7-10,13H2,1-2H3
InChIKeyHPCHOJOHFKLYFR-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.17
Rot. Bonds4

About 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 155798913) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID155798913
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ccc(C#N)cn4)CC3)n2)s1
InChIInChI=1S/C21H22N6OS/c1-14-21(29-15(2)24-14)18-4-6-20(28)27(25-18)13-16-7-9-26(10-8-16)19-5-3-17(11-22)12-23-19/h3-6,12,16H,7-10,13H2,1-2H3
InChIKeyHPCHOJOHFKLYFR-UHFFFAOYSA-N
XLogP3.17
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile 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-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799568
6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126926978
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 163344842
6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126926090
6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 126875911
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 155798913) is 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile is Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ccc(C#N)cn4)CC3)n2)s1.
What is the InChIKey of 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HPCHOJOHFKLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-14-21(29-15(2)24-14)18-4-6-20(28)27(25-18)13-16-7-9-26(10-8-16)19-5-3-17(11-22)12-23-19/h3-6,12,16H,7-10,13H2,1-2H3.
What are the key properties of 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 406.52 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155798913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).