3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine

C24H31N7S — CID 150928931

IUPAC3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine
SMILESCc1cc(-c2cc3sc(N(C)C4CC(C)(C)NC(C)(C)C4)nc3nn2)cc2cn(C)nc12
InChIInChI=1S/C24H31N7S/c1-14-8-15(9-16-13-30(6)28-20(14)16)18-10-19-21(27-26-18)25-22(32-19)31(7)17-11-23(2,3)29-24(4,5)12-17/h8-10,13,17,29H,11-12H2,1-7H3
InChIKeyLFPLKBGPBDWABA-UHFFFAOYSA-N
MW449.63 g/mol
LogP4.69
Rot. Bonds3

About 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine

3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine (PubChem CID 150928931) has the molecular formula C24H31N7S and a molecular weight of 449.63 g/mol. Its IUPAC name is 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine
PubChem CID150928931
Molecular FormulaC24H31N7S
Molecular Weight449.63 g/mol
Exact Mass449.24
IUPAC Name3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine
SMILESCc1cc(-c2cc3sc(N(C)C4CC(C)(C)NC(C)(C)C4)nc3nn2)cc2cn(C)nc12
InChIInChI=1S/C24H31N7S/c1-14-8-15(9-16-13-30(6)28-20(14)16)18-10-19-21(27-26-18)25-22(32-19)31(7)17-11-23(2,3)29-24(4,5)12-17/h8-10,13,17,29H,11-12H2,1-7H3
InChIKeyLFPLKBGPBDWABA-UHFFFAOYSA-N
XLogP4.69
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 150126397
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 150652188
N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 152719069
6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158459718
2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile
CID 151104199
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 160920826
6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153383264
5-[2-[(1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-methylamino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]-2-methylindazole-7-carbonitrile
CID 156757731
6-(7-fluoro-2-methylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
CID 153382993
N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 151617655
6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 159909962
N-methyl-2-[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 162492714

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The IUPAC name of 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine (CID 150928931) is 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine.
What is the SMILES notation for 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The canonical SMILES for 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine is Cc1cc(-c2cc3sc(N(C)C4CC(C)(C)NC(C)(C)C4)nc3nn2)cc2cn(C)nc12.
What is the InChIKey of 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
The InChIKey is LFPLKBGPBDWABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7S/c1-14-8-15(9-16-13-30(6)28-20(14)16)18-10-19-21(27-26-18)25-22(32-19)31(7)17-11-23(2,3)29-24(4,5)12-17/h8-10,13,17,29H,11-12H2,1-7H3.
What are the key properties of 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine?
3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine has a molecular weight of 449.63 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine is sourced from PubChem (CID 150928931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).