6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride

C21H25ClN6S — CID 156757727

IUPAC6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
SMILESCc1cc(-c2nc(C3CCNCC3)c3nc(N)sc3c2C)cc2cn(C)nc12.Cl
InChIInChI=1S/C21H24N6S.ClH/c1-11-8-14(9-15-10-27(3)26-16(11)15)17-12(2)20-19(25-21(22)28-20)18(24-17)13-4-6-23-7-5-13;/h8-10,13,23H,4-7H2,1-3H3,(H2,22,25);1H
InChIKeyRJCSZPJPHHMFLV-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.33
Rot. Bonds2

About 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride

6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride (PubChem CID 156757727) has the molecular formula C21H25ClN6S and a molecular weight of 428.99 g/mol. Its IUPAC name is 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
PubChem CID156757727
Molecular FormulaC21H25ClN6S
Molecular Weight428.99 g/mol
Exact Mass428.15
IUPAC Name6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride
SMILESCc1cc(-c2nc(C3CCNCC3)c3nc(N)sc3c2C)cc2cn(C)nc12.Cl
InChIInChI=1S/C21H24N6S.ClH/c1-11-8-14(9-15-10-27(3)26-16(11)15)17-12(2)20-19(25-21(22)28-20)18(24-17)13-4-6-23-7-5-13;/h8-10,13,23H,4-7H2,1-3H3,(H2,22,25);1H
InChIKeyRJCSZPJPHHMFLV-UHFFFAOYSA-N
XLogP4.33
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
6-(2,7-dimethylindazol-5-yl)-5-(2,6-dimethylpiperidin-4-yl)-4-methyl-1,3-benzothiazol-2-amine;hydrochloride
CID 156757732
8-(2,7-dimethylindazol-5-yl)-6-fluoro-2-piperidin-4-ylquinoline
CID 174159605
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
5-(2,7-dimethylindazol-5-yl)-2-[(3S,4S)-3-fluoropiperidin-4-yl]pyrazolo[4,3-d][1,3]thiazole
CID 168979373
6-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 178051022
4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558239
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
CID 153383267
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-(1-methylpiperidin-4-yl)-1,2,4-benzotriazine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-3-piperidin-4-ylisoquinoline;dihydrochloride
CID 159964386
2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178050881
7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062

Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
The IUPAC name of 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride (CID 156757727) is 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
The canonical SMILES for 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride is Cc1cc(-c2nc(C3CCNCC3)c3nc(N)sc3c2C)cc2cn(C)nc12.Cl.
What is the InChIKey of 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
The InChIKey is RJCSZPJPHHMFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S.ClH/c1-11-8-14(9-15-10-27(3)26-16(11)15)17-12(2)20-19(25-21(22)28-20)18(24-17)13-4-6-23-7-5-13;/h8-10,13,23H,4-7H2,1-3H3,(H2,22,25);1H.
What are the key properties of 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride?
6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride has a molecular weight of 428.99 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dimethylindazol-5-yl)-7-methyl-4-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 156757727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).