2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone

C27H34N6O3 — CID 155142294

About 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone

2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone (PubChem CID 155142294) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone
• PubChem CID: 155142294
• Molecular Formula: C27H34N6O3
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.27
• IUPAC Name: 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone
• SMILES: CCN(C)CC(=O)N1CCOC(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2)C1
• InChI: InChI=1S/C27H34N6O3/c1-6-31(4)15-24(34)32-9-10-36-23(14-32)18-7-8-21-20(11-18)25(17(2)3)26(30-21)19-12-22(35-5)27-28-16-29-33(27)13-19/h7-8,11-13,16-17,23,30H,6,9-10,14-15H2,1-5H3
• InChIKey: UDWXGTAEOLGDGI-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 87.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone?

The IUPAC name of 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone (CID 155142294) is 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone.

What is the SMILES notation for 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone?

The canonical SMILES for 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone is CCN(C)CC(=O)N1CCOC(c2ccc3[nH]c(-c4cc(OC)c5ncnn5c4)c(C(C)C)c3c2)C1.

What is the InChIKey of 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone?

The InChIKey is UDWXGTAEOLGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-6-31(4)15-24(34)32-9-10-36-23(14-32)18-7-8-21-20(11-18)25(17(2)3)26(30-21)19-12-22(35-5)27-28-16-29-33(27)13-19/h7-8,11-13,16-17,23,30H,6,9-10,14-15H2,1-5H3.

What are the key properties of 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone?

2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone has a molecular weight of 490.61 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 155142294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).