2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

C28H38N6O2 — CID 15491487

About 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 15491487) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
• PubChem CID: 15491487
• Molecular Formula: C28H38N6O2
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.31
• IUPAC Name: 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
• SMILES: Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NC[C@H]4C[C@H](C)CCN4CC4CC4)c3=O)cc12
• InChI: InChI=1S/C28H38N6O2/c1-18-8-9-33(16-21-4-5-21)23(10-18)15-32-27-28(36)34(20(3)13-31-27)17-26(35)30-14-22-6-7-25-24(11-22)19(2)12-29-25/h6-7,11-13,18,21,23,29H,4-5,8-10,14-17H2,1-3H3,(H,30,35)(H,31,32)/t18-,23-/m1/s1
• InChIKey: UROONHQCEHMHTO-WZONZLPQSA-N
• XLogP: 3.58
• TPSA: 95.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?

The IUPAC name of 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (CID 15491487) is 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.

What is the SMILES notation for 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?

The canonical SMILES for 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NC[C@H]4C[C@H](C)CCN4CC4CC4)c3=O)cc12.

What is the InChIKey of 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?

The InChIKey is UROONHQCEHMHTO-WZONZLPQSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-18-8-9-33(16-21-4-5-21)23(10-18)15-32-27-28(36)34(20(3)13-31-27)17-26(35)30-14-22-6-7-25-24(11-22)19(2)12-29-25/h6-7,11-13,18,21,23,29H,4-5,8-10,14-17H2,1-3H3,(H,30,35)(H,31,32)/t18-,23-/m1/s1.

What are the key properties of 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?

2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 490.65 g/mol, XLogP of 3.58, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[(2R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 15491487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).