6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C24H22N8O — CID 168821287

About 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 168821287) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
• PubChem CID: 168821287
• Molecular Formula: C24H22N8O
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.19
• IUPAC Name: 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
• SMILES: c1nc2c(Nc3ccc(N4CCC5(COC5)C4)cc3)nc(-c3ccc4cn[nH]c4c3)cn2n1
• InChI: InChI=1S/C24H22N8O/c1-2-17-10-26-30-20(17)9-16(1)21-11-32-23(25-15-27-32)22(29-21)28-18-3-5-19(6-4-18)31-8-7-24(12-31)13-33-14-24/h1-6,9-11,15H,7-8,12-14H2,(H,26,30)(H,28,29)
• InChIKey: JSPFKNQZLBMOPK-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 96.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 168821287) is 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is c1nc2c(Nc3ccc(N4CCC5(COC5)C4)cc3)nc(-c3ccc4cn[nH]c4c3)cn2n1.

What is the InChIKey of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

The InChIKey is JSPFKNQZLBMOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-2-17-10-26-30-20(17)9-16(1)21-11-32-23(25-15-27-32)22(29-21)28-18-3-5-19(6-4-18)31-8-7-24(12-31)13-33-14-24/h1-6,9-11,15H,7-8,12-14H2,(H,26,30)(H,28,29).

What are the key properties of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?

6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 438.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1H-indazol-6-yl)-N-[4-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 168821287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).