2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

C23H24N6O2S — CID 124979516

About 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 124979516) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• PubChem CID: 124979516
• Molecular Formula: C23H24N6O2S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.17
• IUPAC Name: 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• SMILES: Cc1nnc(Nc2cccc([C@H]3CN(C(=O)Cn4c(C)cc5ccccc54)CCO3)n2)s1
• InChI: InChI=1S/C23H24N6O2S/c1-15-12-17-6-3-4-8-19(17)29(15)14-22(30)28-10-11-31-20(13-28)18-7-5-9-21(24-18)25-23-27-26-16(2)32-23/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,24,25,27)/t20-/m1/s1
• InChIKey: MBYNMDUZIAJRPS-HXUWFJFHSA-N
• XLogP: 3.85
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The IUPAC name of 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (CID 124979516) is 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

What is the SMILES notation for 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The canonical SMILES for 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is Cc1nnc(Nc2cccc([C@H]3CN(C(=O)Cn4c(C)cc5ccccc54)CCO3)n2)s1.

What is the InChIKey of 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The InChIKey is MBYNMDUZIAJRPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-15-12-17-6-3-4-8-19(17)29(15)14-22(30)28-10-11-31-20(13-28)18-7-5-9-21(24-18)25-23-27-26-16(2)32-23/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,24,25,27)/t20-/m1/s1.

What are the key properties of 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 448.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylindol-1-yl)-1-[(2R)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 124979516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).