4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride

C24H26Cl2N4S — CID 67142627

About 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride

4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride (PubChem CID 67142627) has the molecular formula C24H26Cl2N4S and a molecular weight of 473.47 g/mol. Its IUPAC name is 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

• Compound Name: 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
• PubChem CID: 67142627
• Molecular Formula: C24H26Cl2N4S
• Molecular Weight: 473.47 g/mol
• Exact Mass: 472.13
• IUPAC Name: 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
• SMILES: Cc1nc(Cn2c(C)c(C)c3ccnc(N4CCc5ccc(Cl)cc5C4C)c32)cs1.Cl
• InChI: InChI=1S/C24H25ClN4S.ClH/c1-14-15(2)29(12-20-13-30-17(4)27-20)23-21(14)7-9-26-24(23)28-10-8-18-5-6-19(25)11-22(18)16(28)3;/h5-7,9,11,13,16H,8,10,12H2,1-4H3;1H
• InChIKey: NVHGCSMBMOVFFF-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 33.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.47
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride?

The IUPAC name of 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride (CID 67142627) is 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride.

What is the SMILES notation for 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride?

The canonical SMILES for 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride is Cc1nc(Cn2c(C)c(C)c3ccnc(N4CCc5ccc(Cl)cc5C4C)c32)cs1.Cl.

What is the InChIKey of 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride?

The InChIKey is NVHGCSMBMOVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4S.ClH/c1-14-15(2)29(12-20-13-30-17(4)27-20)23-21(14)7-9-26-24(23)28-10-8-18-5-6-19(25)11-22(18)16(28)3;/h5-7,9,11,13,16H,8,10,12H2,1-4H3;1H.

What are the key properties of 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride?

4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride has a molecular weight of 473.47 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 67142627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).