3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene

C49H58BrN9O4 — CID 158641241

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene (PubChem CID 158641241) has the molecular formula C49H58BrN9O4 and a molecular weight of 916.97 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene.

Molecular Properties

• Compound Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene
• PubChem CID: 158641241
• Molecular Formula: C49H58BrN9O4
• Molecular Weight: 916.97 g/mol
• Exact Mass: 915.38
• IUPAC Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene
• SMILES: C=C(C)C.C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(C3=NCc4ccc(Br)cc43)n2)C1
• InChI: InChI=1S/C24H27BrN4O3.C21H23N5O.C4H8/c1-23(2,3)32-22(30)29-9-8-24(6-7-24)19(14-29)31-20-13-26-12-18(28-20)21-17-10-16(25)5-4-15(17)11-27-21;1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;1-4(2)3/h4-5,10,12-13,19H,6-9,11,14H2,1-3H3;3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);1H2,2-3H3/t19-;18-;/m00./s1
• InChIKey: IAKJARIVWQQFOJ-BDELUPDYSA-N
• XLogP: 9.91
• TPSA: 152.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	916.97
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene?

The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene (CID 158641241) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene.

What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene?

The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene is C=C(C)C.C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(C3=NCc4ccc(Br)cc43)n2)C1.

What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene?

The InChIKey is IAKJARIVWQQFOJ-BDELUPDYSA-N. The full InChI is InChI=1S/C24H27BrN4O3.C21H23N5O.C4H8/c1-23(2,3)32-22(30)29-9-8-24(6-7-24)19(14-29)31-20-13-26-12-18(28-20)21-17-10-16(25)5-4-15(17)11-27-21;1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;1-4(2)3/h4-5,10,12-13,19H,6-9,11,14H2,1-3H3;3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);1H2,2-3H3/t19-;18-;/m00./s1.

What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene?

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene has a molecular weight of 916.97 g/mol, XLogP of 9.91, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;2-methylprop-1-ene is sourced from PubChem (CID 158641241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).