tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

C30H39N5O5 — CID 67959804

About tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 67959804) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
• PubChem CID: 67959804
• Molecular Formula: C30H39N5O5
• Molecular Weight: 549.67 g/mol
• Exact Mass: 549.30
• IUPAC Name: tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(-c3nn(C4CCCCO4)c4ccc(CCO)cc34)n2)C1
• InChI: InChI=1S/C30H39N5O5/c1-29(2,3)40-28(37)34-13-12-30(10-11-30)24(19-34)39-25-18-31-17-22(32-25)27-21-16-20(9-14-36)7-8-23(21)35(33-27)26-6-4-5-15-38-26/h7-8,16-18,24,26,36H,4-6,9-15,19H2,1-3H3/t24-,26?/m0/s1
• InChIKey: YGGVUJKBXXBSRX-QSAPEBAKSA-N
• XLogP: 4.90
• TPSA: 111.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.67
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The IUPAC name of tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (CID 67959804) is tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

What is the SMILES notation for tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The canonical SMILES for tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(-c3nn(C4CCCCO4)c4ccc(CCO)cc34)n2)C1.

What is the InChIKey of tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The InChIKey is YGGVUJKBXXBSRX-QSAPEBAKSA-N. The full InChI is InChI=1S/C30H39N5O5/c1-29(2,3)40-28(37)34-13-12-30(10-11-30)24(19-34)39-25-18-31-17-22(32-25)27-21-16-20(9-14-36)7-8-23(21)35(33-27)26-6-4-5-15-38-26/h7-8,16-18,24,26,36H,4-6,9-15,19H2,1-3H3/t24-,26?/m0/s1.

What are the key properties of tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 549.67 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (8R)-8-[6-[5-(2-hydroxyethyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 67959804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).