2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride

C19H18ClN7S — CID 153383267

IUPAC2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
SMILESCl.Cn1cc2cc(-c3ncc4nc(C5CCNCC5)sc4n3)cc(C#N)c2n1
InChIInChI=1S/C19H17N7S.ClH/c1-26-10-14-7-12(6-13(8-20)16(14)25-26)17-22-9-15-19(24-17)27-18(23-15)11-2-4-21-5-3-11;/h6-7,9-11,21H,2-5H2,1H3;1H
InChIKeyGWXYZVRGOQKBNB-UHFFFAOYSA-N
MW411.92 g/mol
LogP3.40
Rot. Bonds2

About 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride

2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride (PubChem CID 153383267) has the molecular formula C19H18ClN7S and a molecular weight of 411.92 g/mol. Its IUPAC name is 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
PubChem CID153383267
Molecular FormulaC19H18ClN7S
Molecular Weight411.92 g/mol
Exact Mass411.10
IUPAC Name2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
SMILESCl.Cn1cc2cc(-c3ncc4nc(C5CCNCC5)sc4n3)cc(C#N)c2n1
InChIInChI=1S/C19H17N7S.ClH/c1-26-10-14-7-12(6-13(8-20)16(14)25-26)17-22-9-15-19(24-17)27-18(23-15)11-2-4-21-5-3-11;/h6-7,9-11,21H,2-5H2,1H3;1H
InChIKeyGWXYZVRGOQKBNB-UHFFFAOYSA-N
XLogP3.40
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(8-fluoro-2-piperidin-4-ylquinazolin-6-yl)-2-methylindazole-7-carbonitrile
CID 137357468
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 151072490
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
2-(7-ethynyl-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051151
5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888736
5-[2-[9-azabicyclo[3.3.1]nonan-3-yl(methyl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-2-methylindazole-7-carbonitrile
CID 150698880
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
5-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]quinazolin-2-yl]-2-methylindazole-7-carbonitrile
CID 170008803
5-[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazol-6-yl]-2-methylindazole-7-carbonitrile;hydrochloride
CID 153383082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride?
The IUPAC name of 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride (CID 153383267) is 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride is Cl.Cn1cc2cc(-c3ncc4nc(C5CCNCC5)sc4n3)cc(C#N)c2n1.
What is the InChIKey of 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride?
The InChIKey is GWXYZVRGOQKBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7S.ClH/c1-26-10-14-7-12(6-13(8-20)16(14)25-26)17-22-9-15-19(24-17)27-18(23-15)11-2-4-21-5-3-11;/h6-7,9-11,21H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride?
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride has a molecular weight of 411.92 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride is sourced from PubChem (CID 153383267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).