(2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid

C18H23N5O3 — CID 167857989

About (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid (PubChem CID 167857989) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid
• PubChem CID: 167857989
• Molecular Formula: C18H23N5O3
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.18
• IUPAC Name: (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid
• SMILES: O=C(O)[C@H]1CC[C@@H](C2CCN(c3nccn4c(C5CC5)nnc34)CC2)O1
• InChI: InChI=1S/C18H23N5O3/c24-18(25)14-4-3-13(26-14)11-5-8-22(9-6-11)16-17-21-20-15(12-1-2-12)23(17)10-7-19-16/h7,10-14H,1-6,8-9H2,(H,24,25)/t13-,14+/m0/s1
• InChIKey: NHAQIRVZABETQA-UONOGXRCSA-N
• XLogP: 1.85
• TPSA: 92.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid?

The IUPAC name of (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid (CID 167857989) is (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid.

What is the SMILES notation for (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid?

The canonical SMILES for (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C2CCN(c3nccn4c(C5CC5)nnc34)CC2)O1.

What is the InChIKey of (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid?

The InChIKey is NHAQIRVZABETQA-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-18(25)14-4-3-13(26-14)11-5-8-22(9-6-11)16-17-21-20-15(12-1-2-12)23(17)10-7-19-16/h7,10-14H,1-6,8-9H2,(H,24,25)/t13-,14+/m0/s1.

What are the key properties of (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid?

(2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 167857989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).