2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine

C35H28N8S2 — CID 166112320

About 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine

2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine (PubChem CID 166112320) has the molecular formula C35H28N8S2 and a molecular weight of 624.80 g/mol. Its IUPAC name is 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine
• PubChem CID: 166112320
• Molecular Formula: C35H28N8S2
• Molecular Weight: 624.80 g/mol
• Exact Mass: 624.19
• IUPAC Name: 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine
• SMILES: Cc1cccc(-n2nc(Cc3cc(C)nc(-n4nc(C)c(C)c4-c4cc5cnccc5s4)c3)cc2-c2cc3cnccc3s2)n1
• InChI: InChI=1S/C35H28N8S2/c1-20-6-5-7-33(38-20)42-28(31-15-25-18-36-10-8-29(25)44-31)17-27(41-42)13-24-12-21(2)39-34(14-24)43-35(22(3)23(4)40-43)32-16-26-19-37-11-9-30(26)45-32/h5-12,14-19H,13H2,1-4H3
• InChIKey: GCSQEPQNSSVJRT-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.80
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine?

The IUPAC name of 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine (CID 166112320) is 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine.

What is the SMILES notation for 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine?

The canonical SMILES for 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine is Cc1cccc(-n2nc(Cc3cc(C)nc(-n4nc(C)c(C)c4-c4cc5cnccc5s4)c3)cc2-c2cc3cnccc3s2)n1.

What is the InChIKey of 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine?

The InChIKey is GCSQEPQNSSVJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N8S2/c1-20-6-5-7-33(38-20)42-28(31-15-25-18-36-10-8-29(25)44-31)17-27(41-42)13-24-12-21(2)39-34(14-24)43-35(22(3)23(4)40-43)32-16-26-19-37-11-9-30(26)45-32/h5-12,14-19H,13H2,1-4H3.

What are the key properties of 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine?

2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine has a molecular weight of 624.80 g/mol, XLogP of 8.23, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-dimethyl-2-[6-methyl-4-[[1-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-ylpyrazol-3-yl]methyl]-2-pyridinyl]pyrazol-3-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 166112320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).