N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen

C44H49F3N8O8 — CID 154684407

IUPACN-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.[H][H].[H][H]
InChIInChI=1S/C44H45F3N8O8.2H2/c1-27-34(23-31(26-48-27)50-39(57)28-3-2-4-30(21-28)44(45,46)47)29-22-37(54-14-17-61-18-15-54)41(49-25-29)63-20-19-62-16-13-52-9-11-53(12-10-52)32-5-6-33-35(24-32)43(60)55(42(33)59)36-7-8-38(56)51-40(36)58;;/h2-6,21-26,36H,7-20H2,1H3,(H,50,57)(H,51,56,58);2*1H
InChIKeyOKRZSNIMBQUGQZ-UHFFFAOYSA-N
MW874.92 g/mol
LogP4.67
Rot. Bonds13

About N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen

N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen (PubChem CID 154684407) has the molecular formula C44H49F3N8O8 and a molecular weight of 874.92 g/mol. Its IUPAC name is N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen
PubChem CID154684407
Molecular FormulaC44H49F3N8O8
Molecular Weight874.92 g/mol
Exact Mass874.36
IUPAC NameN-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.[H][H].[H][H]
InChIInChI=1S/C44H45F3N8O8.2H2/c1-27-34(23-31(26-48-27)50-39(57)28-3-2-4-30(21-28)44(45,46)47)29-22-37(54-14-17-61-18-15-54)41(49-25-29)63-20-19-62-16-13-52-9-11-53(12-10-52)32-5-6-33-35(24-32)43(60)55(42(33)59)36-7-8-38(56)51-40(36)58;;/h2-6,21-26,36H,7-20H2,1H3,(H,50,57)(H,51,56,58);2*1H
InChIKeyOKRZSNIMBQUGQZ-UHFFFAOYSA-N
XLogP4.67
TPSA175.84 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.92
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen with MolForge

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Related Compounds

N-[5-[6-[(3S,4S)-3-methoxyoxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118887129
(3S)-N-[5-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 163222696
(3S)-N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 163222701
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408627
N-(6'-((1,4-dioxan-2-yl)methoxy)-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90456490
(R)-N-(6'-((1-methoxypropan-2-yl)oxy)-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90456551
(S)-N-(6'-(2-methoxypropoxy)-2-methyl-5'-morpholino-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90456866
N-[6-methyl-5-[5-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456895
2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461037
2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)phenyl]pyridine-4-carboxamide
CID 90461225
2-(2-fluoropropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461361

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen?
The IUPAC name of N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen (CID 154684407) is N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen.
What is the SMILES notation for N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen?
The canonical SMILES for N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCOCCN2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.[H][H].[H][H].
What is the InChIKey of N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen?
The InChIKey is OKRZSNIMBQUGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45F3N8O8.2H2/c1-27-34(23-31(26-48-27)50-39(57)28-3-2-4-30(21-28)44(45,46)47)29-22-37(54-14-17-61-18-15-54)41(49-25-29)63-20-19-62-16-13-52-9-11-53(12-10-52)32-5-6-33-35(24-32)43(60)55(42(33)59)36-7-8-38(56)51-40(36)58;;/h2-6,21-26,36H,7-20H2,1H3,(H,50,57)(H,51,56,58);2*1H.
What are the key properties of N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen?
N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen has a molecular weight of 874.92 g/mol, XLogP of 4.67, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen is sourced from PubChem (CID 154684407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).