3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen

C41H49F3N8O5 — CID 164567820

IUPAC3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc2c(c1C1CCN(CC3CCCCC3)CC1)n(C)c(=O)n2C1CCC(=O)N(C)C1=O.O=C(Nc1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)n1.[H][H]
InChIInChI=1S/C27H38N4O4.C14H9F3N4O.H2/c1-28-23(32)12-10-21(26(28)33)31-20-9-11-22(35-3)24(25(20)29(2)27(31)34)19-13-15-30(16-14-19)17-18-7-5-4-6-8-18;15-14(16,17)12-3-1-2-11(20-12)13(22)19-9-4-5-10-8(6-9)7-18-21-10;/h9,11,18-19,21H,4-8,10,12-17H2,1-3H3;1-7H,(H,18,21)(H,19,22);1H
InChIKeyJWYDXMNFOFJOAX-UHFFFAOYSA-N
MW790.89 g/mol
LogP6.90
Rot. Bonds7

About 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen

3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen (PubChem CID 164567820) has the molecular formula C41H49F3N8O5 and a molecular weight of 790.89 g/mol. Its IUPAC name is 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
PubChem CID164567820
Molecular FormulaC41H49F3N8O5
Molecular Weight790.89 g/mol
Exact Mass790.38
IUPAC Name3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc2c(c1C1CCN(CC3CCCCC3)CC1)n(C)c(=O)n2C1CCC(=O)N(C)C1=O.O=C(Nc1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)n1.[H][H]
InChIInChI=1S/C27H38N4O4.C14H9F3N4O.H2/c1-28-23(32)12-10-21(26(28)33)31-20-9-11-22(35-3)24(25(20)29(2)27(31)34)19-13-15-30(16-14-19)17-18-7-5-4-6-8-18;15-14(16,17)12-3-1-2-11(20-12)13(22)19-9-4-5-10-8(6-9)7-18-21-10;/h9,11,18-19,21H,4-8,10,12-17H2,1-3H3;1-7H,(H,18,21)(H,19,22);1H
InChIKeyJWYDXMNFOFJOAX-UHFFFAOYSA-N
XLogP6.90
TPSA147.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.89
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen (CID 164567820) is 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen is COc1ccc2c(c1C1CCN(CC3CCCCC3)CC1)n(C)c(=O)n2C1CCC(=O)N(C)C1=O.O=C(Nc1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)n1.[H][H].
What is the InChIKey of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is JWYDXMNFOFJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4.C14H9F3N4O.H2/c1-28-23(32)12-10-21(26(28)33)31-20-9-11-22(35-3)24(25(20)29(2)27(31)34)19-13-15-30(16-14-19)17-18-7-5-4-6-8-18;15-14(16,17)12-3-1-2-11(20-12)13(22)19-9-4-5-10-8(6-9)7-18-21-10;/h9,11,18-19,21H,4-8,10,12-17H2,1-3H3;1-7H,(H,18,21)(H,19,22);1H.
What are the key properties of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen?
3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 790.89 g/mol, XLogP of 6.90, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 164567820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).