2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide

C29H34N4OS — CID 151140626

About 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide

2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide (PubChem CID 151140626) has the molecular formula C29H34N4OS and a molecular weight of 486.69 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide
• PubChem CID: 151140626
• Molecular Formula: C29H34N4OS
• Molecular Weight: 486.69 g/mol
• Exact Mass: 486.25
• IUPAC Name: 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide
• SMILES: Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(CC(=O)N(C)C)CC5)cc3c2C(C)C)cc(C)n1
• InChI: InChI=1S/C29H34N4OS/c1-17(2)28-23-13-20(7-8-24(23)31-29(28)22-11-18(3)30-19(4)12-22)25-14-21-9-10-33(15-26(21)35-25)16-27(34)32(5)6/h7-8,11-14,17,31H,9-10,15-16H2,1-6H3
• InChIKey: MWCYCPDXZZOGCS-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.69
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide (CID 151140626) is 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide.

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

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

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

The InChIKey is MWCYCPDXZZOGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4OS/c1-17(2)28-23-13-20(7-8-24(23)31-29(28)22-11-18(3)30-19(4)12-22)25-14-21-9-10-33(15-26(21)35-25)16-27(34)32(5)6/h7-8,11-14,17,31H,9-10,15-16H2,1-6H3.

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

2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide has a molecular weight of 486.69 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 151140626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).