5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

C27H33N5 — CID 134329764

About 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole

5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (PubChem CID 134329764) has the molecular formula C27H33N5 and a molecular weight of 427.60 g/mol. Its IUPAC name is 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.

Molecular Properties

• Compound Name: 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
• PubChem CID: 134329764
• Molecular Formula: C27H33N5
• Molecular Weight: 427.60 g/mol
• Exact Mass: 427.27
• IUPAC Name: 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5nc[nH]c5C)CC4)cc3c2C(C)C)ccn1
• InChI: InChI=1S/C27H33N5/c1-17(2)26-23-14-21(5-6-24(23)31-27(26)22-7-10-28-18(3)13-22)20-8-11-32(12-9-20)15-25-19(4)29-16-30-25/h5-7,10,13-14,16-17,20,31H,8-9,11-12,15H2,1-4H3,(H,29,30)
• InChIKey: UXTWDUSWRPSOII-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.60
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?

The IUPAC name of 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole (CID 134329764) is 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole.

What is the SMILES notation for 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?

The canonical SMILES for 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5nc[nH]c5C)CC4)cc3c2C(C)C)ccn1.

What is the InChIKey of 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?

The InChIKey is UXTWDUSWRPSOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5/c1-17(2)26-23-14-21(5-6-24(23)31-27(26)22-7-10-28-18(3)13-22)20-8-11-32(12-9-20)15-25-19(4)29-16-30-25/h5-7,10,13-14,16-17,20,31H,8-9,11-12,15H2,1-4H3,(H,29,30).

What are the key properties of 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole?

5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole has a molecular weight of 427.60 g/mol, XLogP of 6.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).