6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C42H48FN9O5 — CID 169120704

About 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 169120704) has the molecular formula C42H48FN9O5 and a molecular weight of 777.90 g/mol. Its IUPAC name is 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 169120704
• Molecular Formula: C42H48FN9O5
• Molecular Weight: 777.90 g/mol
• Exact Mass: 777.38
• IUPAC Name: 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C#N)n1.CN1CCC(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)C(F)C1
• InChI: InChI=1S/C23H25N5O2.C19H23FN4O3/c1-23(2,30)18-12-20-15(14-28(27-20)17-8-4-3-5-9-17)11-21(18)26-22(29)19-10-6-7-16(13-24)25-19;1-22-9-8-11(13(20)10-22)12-4-3-5-14-17(12)23(2)19(27)24(14)15-6-7-16(25)21-18(15)26/h6-7,10-12,14,17,30H,3-5,8-9H2,1-2H3,(H,26,29);3-5,11,13,15H,6-10H2,1-2H3,(H,21,25,26)
• InChIKey: WOPRJSLBECGUPF-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 180.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	777.90
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 169120704) is 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C#N)n1.CN1CCC(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)C(F)C1.

What is the InChIKey of 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is WOPRJSLBECGUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C19H23FN4O3/c1-23(2,30)18-12-20-15(14-28(27-20)17-8-4-3-5-9-17)11-21(18)26-22(29)19-10-6-7-16(13-24)25-19;1-22-9-8-11(13(20)10-22)12-4-3-5-14-17(12)23(2)19(27)24(14)15-6-7-16(25)21-18(15)26/h6-7,10-12,14,17,30H,3-5,8-9H2,1-2H3,(H,26,29);3-5,11,13,15H,6-10H2,1-2H3,(H,21,25,26).

What are the key properties of 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 777.90 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide;3-[4-(3-fluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 169120704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).