2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole

C29H34N4 — CID 134330006

About 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 134330006) has the molecular formula C29H34N4 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

• Compound Name: 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole
• PubChem CID: 134330006
• Molecular Formula: C29H34N4
• Molecular Weight: 438.62 g/mol
• Exact Mass: 438.28
• IUPAC Name: 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5cccnc5)CC4)cc3c2C(C)C)cc(C)n1
• InChI: InChI=1S/C29H34N4/c1-19(2)28-26-16-24(23-9-12-33(13-10-23)18-22-6-5-11-30-17-22)7-8-27(26)32-29(28)25-14-20(3)31-21(4)15-25/h5-8,11,14-17,19,23,32H,9-10,12-13,18H2,1-4H3
• InChIKey: GPRQGIPIIVBWJL-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.62
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole?

The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole (CID 134330006) is 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole.

What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole?

The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5cccnc5)CC4)cc3c2C(C)C)cc(C)n1.

What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole?

The InChIKey is GPRQGIPIIVBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4/c1-19(2)28-26-16-24(23-9-12-33(13-10-23)18-22-6-5-11-30-17-22)7-8-27(26)32-29(28)25-14-20(3)31-21(4)15-25/h5-8,11,14-17,19,23,32H,9-10,12-13,18H2,1-4H3.

What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole?

2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 438.62 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 134330006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).