tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate

C24H28N8O2 — CID 67457605

About tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate

tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate (PubChem CID 67457605) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate
• PubChem CID: 67457605
• Molecular Formula: C24H28N8O2
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.23
• IUPAC Name: tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
• InChI: InChI=1S/C24H28N8O2/c1-24(2,3)34-23(33)27-18-7-5-11-31(15-18)20-13-26-21-22(28-20)32(30-29-21)14-16-8-9-19-17(12-16)6-4-10-25-19/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3,(H,27,33)
• InChIKey: RBWHAPDJCFOEHH-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 110.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate (CID 67457605) is tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1.

What is the InChIKey of tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate?

The InChIKey is RBWHAPDJCFOEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-24(2,3)34-23(33)27-18-7-5-11-31(15-18)20-13-26-21-22(28-20)32(30-29-21)14-16-8-9-19-17(12-16)6-4-10-25-19/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3,(H,27,33).

What are the key properties of tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate?

tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate has a molecular weight of 460.54 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 67457605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).