[(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

C23H27N7O — CID 167582715

About [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone

[(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 167582715) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• PubChem CID: 167582715
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
• SMILES: Cc1cnc(CCC2[C@H](C)C3CC(C3)N2C(=O)c2nc(C)ccc2-n2nccn2)cn1
• InChI: InChI=1S/C23H27N7O/c1-14-4-6-21(30-26-8-9-27-30)22(28-14)23(31)29-19-10-17(11-19)16(3)20(29)7-5-18-13-24-15(2)12-25-18/h4,6,8-9,12-13,16-17,19-20H,5,7,10-11H2,1-3H3/t16-,17?,19?,20?/m1/s1
• InChIKey: HJUQGLSUDFPEDU-WZOHVRDPSA-N
• XLogP: 2.94
• TPSA: 89.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The IUPAC name of [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone (CID 167582715) is [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone.

What is the SMILES notation for [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The canonical SMILES for [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is Cc1cnc(CCC2[C@H](C)C3CC(C3)N2C(=O)c2nc(C)ccc2-n2nccn2)cn1.

What is the InChIKey of [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

The InChIKey is HJUQGLSUDFPEDU-WZOHVRDPSA-N. The full InChI is InChI=1S/C23H27N7O/c1-14-4-6-21(30-26-8-9-27-30)22(28-14)23(31)29-19-10-17(11-19)16(3)20(29)7-5-18-13-24-15(2)12-25-18/h4,6,8-9,12-13,16-17,19-20H,5,7,10-11H2,1-3H3/t16-,17?,19?,20?/m1/s1.

What are the key properties of [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone?

[(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 417.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-methyl-3-[2-(5-methylpyrazin-2-yl)ethyl]-2-azabicyclo[3.1.1]heptan-2-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 167582715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).