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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).