N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C41H46F5N9O5 — CID 169121030

About N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 169121030) has the molecular formula C41H46F5N9O5 and a molecular weight of 839.87 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 169121030
• Molecular Formula: C41H46F5N9O5
• Molecular Weight: 839.87 g/mol
• Exact Mass: 839.35
• IUPAC Name: N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: CN(C)C1CCN(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1(F)F.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C21H21F3N4O2.C20H25F2N5O3/c1-30-18-11-16-13(12-28(27-16)14-6-3-2-4-7-14)10-17(18)26-20(29)15-8-5-9-19(25-15)21(22,23)24;1-24(2)15-9-10-26(11-20(15,21)22)12-5-4-6-13-17(12)25(3)19(30)27(13)14-7-8-16(28)23-18(14)29/h5,8-12,14H,2-4,6-7H2,1H3,(H,26,29);4-6,14-15H,7-11H2,1-3H3,(H,23,28,29)
• InChIKey: QJEWTWFQPHYSJK-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 148.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	839.87
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
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 N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 169121030) is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is CN(C)C1CCN(c2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1(F)F.COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is QJEWTWFQPHYSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2.C20H25F2N5O3/c1-30-18-11-16-13(12-28(27-16)14-6-3-2-4-7-14)10-17(18)26-20(29)15-8-5-9-19(25-15)21(22,23)24;1-24(2)15-9-10-26(11-20(15,21)22)12-5-4-6-13-17(12)25(3)19(30)27(13)14-7-8-16(28)23-18(14)29/h5,8-12,14H,2-4,6-7H2,1H3,(H,26,29);4-6,14-15H,7-11H2,1-3H3,(H,23,28,29).

What are the key properties of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 839.87 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)-3,3-difluoropiperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 169121030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).