2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide

C30H38N6O2 — CID 154639602

About 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide

2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide (PubChem CID 154639602) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide
• PubChem CID: 154639602
• Molecular Formula: C30H38N6O2
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.31
• IUPAC Name: 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide
• SMILES: COc1cc(-c2[nH]c3ccc(C4CCC(NC(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C30H38N6O2/c1-18(2)28-24-13-20(19-5-8-22(9-6-19)33-27(37)16-35(3)23-10-11-23)7-12-25(24)34-29(28)21-14-26(38-4)30-31-17-32-36(30)15-21/h7,12-15,17-19,22-23,34H,5-6,8-11,16H2,1-4H3,(H,33,37)
• InChIKey: CVIIAURWEHTOMH-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 87.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide (CID 154639602) is 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide.

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

The canonical SMILES for 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide is COc1cc(-c2[nH]c3ccc(C4CCC(NC(=O)CN(C)C5CC5)CC4)cc3c2C(C)C)cn2ncnc12.

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

The InChIKey is CVIIAURWEHTOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-18(2)28-24-13-20(19-5-8-22(9-6-19)33-27(37)16-35(3)23-10-11-23)7-12-25(24)34-29(28)21-14-26(38-4)30-31-17-32-36(30)15-21/h7,12-15,17-19,22-23,34H,5-6,8-11,16H2,1-4H3,(H,33,37).

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

2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide has a molecular weight of 514.67 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 154639602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).