aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

C92H105BrN18O9 — CID 157196027

About aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 157196027) has the molecular formula C92H105BrN18O9 and a molecular weight of 1686.87 g/mol. Its IUPAC name is aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

• Compound Name: aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
• PubChem CID: 157196027
• Molecular Formula: C92H105BrN18O9
• Molecular Weight: 1686.87 g/mol
• Exact Mass: 1684.75
• IUPAC Name: aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-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(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.CC(C)(C)OC(=O)N1CCC2(CC2)C(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Nc5ccccc5)cc34)n2)C1.Nc1ccccc1.c1ccc(Nc2ccc3[nH]nc(-c4cncc(OC5CNCCC56CC6)n4)c3c2)cc1
• InChI: InChI=1S/C34H40N6O4.C28H34BrN5O4.C24H24N6O.C6H7N/c1-33(2,3)44-32(41)39-17-16-34(14-15-34)28(22-39)43-29-21-35-20-26(37-29)31-25-19-24(36-23-9-5-4-6-10-23)12-13-27(25)40(38-31)30-11-7-8-18-42-30;1-27(2,3)38-26(35)33-12-11-28(9-10-28)22(17-33)37-23-16-30-15-20(31-23)25-19-14-18(29)7-8-21(19)34(32-25)24-6-4-5-13-36-24;1-2-4-16(5-3-1)27-17-6-7-19-18(12-17)23(30-29-19)20-13-26-15-22(28-20)31-21-14-25-11-10-24(21)8-9-24;7-6-4-2-1-3-5-6/h4-6,9-10,12-13,19-21,28,30,36H,7-8,11,14-18,22H2,1-3H3;7-8,14-16,22,24H,4-6,9-13,17H2,1-3H3;1-7,12-13,15,21,25,27H,8-11,14H2,(H,29,30);1-5H,7H2
• InChIKey: AQGLBWKZQNLHAY-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 309.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.87
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The IUPAC name of aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (CID 157196027) is aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

What is the SMILES notation for aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The canonical SMILES for aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-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(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.CC(C)(C)OC(=O)N1CCC2(CC2)C(Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Nc5ccccc5)cc34)n2)C1.Nc1ccccc1.c1ccc(Nc2ccc3[nH]nc(-c4cncc(OC5CNCCC56CC6)n4)c3c2)cc1.

What is the InChIKey of aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The InChIKey is AQGLBWKZQNLHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O4.C28H34BrN5O4.C24H24N6O.C6H7N/c1-33(2,3)44-32(41)39-17-16-34(14-15-34)28(22-39)43-29-21-35-20-26(37-29)31-25-19-24(36-23-9-5-4-6-10-23)12-13-27(25)40(38-31)30-11-7-8-18-42-30;1-27(2,3)38-26(35)33-12-11-28(9-10-28)22(17-33)37-23-16-30-15-20(31-23)25-19-14-18(29)7-8-21(19)34(32-25)24-6-4-5-13-36-24;1-2-4-16(5-3-1)27-17-6-7-19-18(12-17)23(30-29-19)20-13-26-15-22(28-20)31-21-14-25-11-10-24(21)8-9-24;7-6-4-2-1-3-5-6/h4-6,9-10,12-13,19-21,28,30,36H,7-8,11,14-18,22H2,1-3H3;7-8,14-16,22,24H,4-6,9-13,17H2,1-3H3;1-7,12-13,15,21,25,27H,8-11,14H2,(H,29,30);1-5H,7H2.

What are the key properties of aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 1686.87 g/mol, XLogP of 18.78, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-N-phenyl-1H-indazol-5-amine;tert-butyl 8-[6-[5-anilino-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl 8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 157196027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).