2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane

C49H63F3N8O8 — CID 164999505

About 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane

2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane (PubChem CID 164999505) has the molecular formula C49H63F3N8O8 and a molecular weight of 949.08 g/mol. Its IUPAC name is 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane.

Molecular Properties

• Compound Name: 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane
• PubChem CID: 164999505
• Molecular Formula: C49H63F3N8O8
• Molecular Weight: 949.08 g/mol
• Exact Mass: 948.47
• IUPAC Name: 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane
• SMILES: C.C1CCOC1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1N.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1ccnc(C(F)(F)F)c1.Cc1cc(C(=O)O)ccn1
• InChI: InChI=1S/C22H23F3N4O3.C15H21N3O2.C7H7NO2.C4H8O.CH4/c1-21(2,31)14-8-15(9-14)29-11-13-6-17(18(32-3)10-16(13)28-29)27-20(30)12-4-5-26-19(7-12)22(23,24)25;1-15(2,19)10-5-11(6-10)18-8-9-4-12(16)14(20-3)7-13(9)17-18;1-5-4-6(7(9)10)2-3-8-5;1-2-4-5-3-1;/h4-7,10-11,14-15,31H,8-9H2,1-3H3,(H,27,30);4,7-8,10-11,19H,5-6,16H2,1-3H3;2-4H,1H3,(H,9,10);1-4H2;1H4
• InChIKey: IARDUJWKEKIUEX-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 221.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.08
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane?

The IUPAC name of 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane (CID 164999505) is 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane.

What is the SMILES notation for 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane?

The canonical SMILES for 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane is C.C1CCOC1.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1N.COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1ccnc(C(F)(F)F)c1.Cc1cc(C(=O)O)ccn1.

What is the InChIKey of 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane?

The InChIKey is IARDUJWKEKIUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3.C15H21N3O2.C7H7NO2.C4H8O.CH4/c1-21(2,31)14-8-15(9-14)29-11-13-6-17(18(32-3)10-16(13)28-29)27-20(30)12-4-5-26-19(7-12)22(23,24)25;1-15(2,19)10-5-11(6-10)18-8-9-4-12(16)14(20-3)7-13(9)17-18;1-5-4-6(7(9)10)2-3-8-5;1-2-4-5-3-1;/h4-7,10-11,14-15,31H,8-9H2,1-3H3,(H,27,30);4,7-8,10-11,19H,5-6,16H2,1-3H3;2-4H,1H3,(H,9,10);1-4H2;1H4.

What are the key properties of 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane?

2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane has a molecular weight of 949.08 g/mol, XLogP of 9.30, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(5-amino-6-methoxyindazol-2-yl)cyclobutyl]propan-2-ol;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;2-methylpyridine-4-carboxylic acid;oxolane is sourced from PubChem (CID 164999505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).