2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

C23H23Cl2N3S — CID 67142937

About 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride

2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 67142937) has the molecular formula C23H23Cl2N3S and a molecular weight of 444.43 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

• Compound Name: 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
• PubChem CID: 67142937
• Molecular Formula: C23H23Cl2N3S
• Molecular Weight: 444.43 g/mol
• Exact Mass: 443.10
• IUPAC Name: 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride
• SMILES: Cc1c(C)n(Cc2ccc(Cl)s2)c2c(N3CCc4ccccc4C3)nccc12.Cl
• InChI: InChI=1S/C23H22ClN3S.ClH/c1-15-16(2)27(14-19-7-8-21(24)28-19)22-20(15)9-11-25-23(22)26-12-10-17-5-3-4-6-18(17)13-26;/h3-9,11H,10,12-14H2,1-2H3;1H
• InChIKey: GZOBQKMMQBKELB-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 21.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.43
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?

The IUPAC name of 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 67142937) is 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride.

What is the SMILES notation for 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?

The canonical SMILES for 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is Cc1c(C)n(Cc2ccc(Cl)s2)c2c(N3CCc4ccccc4C3)nccc12.Cl.

What is the InChIKey of 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?

The InChIKey is GZOBQKMMQBKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3S.ClH/c1-15-16(2)27(14-19-7-8-21(24)28-19)22-20(15)9-11-25-23(22)26-12-10-17-5-3-4-6-18(17)13-26;/h3-9,11H,10,12-14H2,1-2H3;1H.

What are the key properties of 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride?

2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 444.43 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 67142937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).