3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide

C26H38N6O3 — CID 155781018

About 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide (PubChem CID 155781018) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide
• PubChem CID: 155781018
• Molecular Formula: C26H38N6O3
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.30
• IUPAC Name: 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide
• SMILES: CC(C)(CO)Nc1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1
• InChI: InChI=1S/C26H38N6O3/c1-24(2,16-33)30-19-7-5-6-18(14-19)28-23(35)21-22(32-12-10-26(8-9-26)11-13-32)29-20(15-27-21)31-25(3,4)17-34/h5-7,14-15,30,33-34H,8-13,16-17H2,1-4H3,(H,28,35)(H,29,31)
• InChIKey: GDYSXHOAFKAWGZ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 122.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide?

The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide (CID 155781018) is 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide is CC(C)(CO)Nc1cccc(NC(=O)c2ncc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)c1.

What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide?

The InChIKey is GDYSXHOAFKAWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-24(2,16-33)30-19-7-5-6-18(14-19)28-23(35)21-22(32-12-10-26(8-9-26)11-13-32)29-20(15-27-21)31-25(3,4)17-34/h5-7,14-15,30,33-34H,8-13,16-17H2,1-4H3,(H,28,35)(H,29,31).

What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide?

3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 3.47, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155781018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).