2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

C30H33N5S — CID 151649400

About 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 151649400) has the molecular formula C30H33N5S and a molecular weight of 495.70 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

• Compound Name: 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
• PubChem CID: 151649400
• Molecular Formula: C30H33N5S
• Molecular Weight: 495.70 g/mol
• Exact Mass: 495.25
• IUPAC Name: 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
• SMILES: Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(Cc4cnc(C)[nH]4)CC5)cc3c2C(C)C)cc(C)n1
• InChI: InChI=1S/C30H33N5S/c1-17(2)29-25-12-21(6-7-26(25)34-30(29)23-10-18(3)32-19(4)11-23)27-13-22-8-9-35(16-28(22)36-27)15-24-14-31-20(5)33-24/h6-7,10-14,17,34H,8-9,15-16H2,1-5H3,(H,31,33)
• InChIKey: QUEVAXKRBQFJTB-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.70
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?

The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 151649400) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?

The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(Cc4cnc(C)[nH]4)CC5)cc3c2C(C)C)cc(C)n1.

What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?

The InChIKey is QUEVAXKRBQFJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5S/c1-17(2)29-25-12-21(6-7-26(25)34-30(29)23-10-18(3)32-19(4)11-23)27-13-22-8-9-35(16-28(22)36-27)15-24-14-31-20(5)33-24/h6-7,10-14,17,34H,8-9,15-16H2,1-5H3,(H,31,33).

What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 495.70 g/mol, XLogP of 7.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 151649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).