5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine

C24H26N8O2 — CID 118364004

About 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine

5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 118364004) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
• PubChem CID: 118364004
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
• SMILES: C[C@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3CCOCC3)c2)n1)C1CC1
• InChI: InChI=1S/C24H26N8O2/c1-24(16-2-3-16,17-4-5-19(26-11-17)20-12-28-21(25)13-27-20)23-30-22(34-31-23)15-10-29-32(14-15)18-6-8-33-9-7-18/h4-5,10-14,16,18H,2-3,6-9H2,1H3,(H2,25,28)/t24-/m0/s1
• InChIKey: YQZXOMJSHZFNNH-DEOSSOPVSA-N
• XLogP: 3.43
• TPSA: 130.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

The IUPAC name of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine (CID 118364004) is 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine.

What is the SMILES notation for 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

The canonical SMILES for 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine is C[C@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3CCOCC3)c2)n1)C1CC1.

What is the InChIKey of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

The InChIKey is YQZXOMJSHZFNNH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-24(16-2-3-16,17-4-5-19(26-11-17)20-12-28-21(25)13-27-20)23-30-22(34-31-23)15-10-29-32(14-15)18-6-8-33-9-7-18/h4-5,10-14,16,18H,2-3,6-9H2,1H3,(H2,25,28)/t24-/m0/s1.

What are the key properties of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 458.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 118364004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).