N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C44H44F6N8O6 — CID 154655663

IUPACN-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CCOC(C)(C)C3)cn2cc1NC(=O)c1nc(C(F)(F)F)ccc1CCOc1cc2nc(C3CCCOC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H44F6N8O6/c1-4-62-33-17-37-52-29(26-13-16-64-42(2,3)19-26)20-57(37)22-31(33)55-41(60)39-25(10-11-36(56-39)44(48,49)50)12-15-63-34-18-38-53-30(27-7-6-14-61-24-27)21-58(38)23-32(34)54-40(59)28-8-5-9-35(51-28)43(45,46)47/h5,8-11,17-18,20-23,26-27H,4,6-7,12-16,19,24H2,1-3H3,(H,54,59)(H,55,60)
InChIKeyMCSJMTQTAFGWCG-UHFFFAOYSA-N
MW894.87 g/mol
LogP8.90
Rot. Bonds12

About N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655663) has the molecular formula C44H44F6N8O6 and a molecular weight of 894.87 g/mol. Its IUPAC name is N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655663
Molecular FormulaC44H44F6N8O6
Molecular Weight894.87 g/mol
Exact Mass894.33
IUPAC NameN-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CCOC(C)(C)C3)cn2cc1NC(=O)c1nc(C(F)(F)F)ccc1CCOc1cc2nc(C3CCCOC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H44F6N8O6/c1-4-62-33-17-37-52-29(26-13-16-64-42(2,3)19-26)20-57(37)22-31(33)55-41(60)39-25(10-11-36(56-39)44(48,49)50)12-15-63-34-18-38-53-30(27-7-6-14-61-24-27)21-58(38)23-32(34)54-40(59)28-8-5-9-35(51-28)43(45,46)47/h5,8-11,17-18,20-23,26-27H,4,6-7,12-16,19,24H2,1-3H3,(H,54,59)(H,55,60)
InChIKeyMCSJMTQTAFGWCG-UHFFFAOYSA-N
XLogP8.90
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500894.87
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655663) is N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nc(C3CCOC(C)(C)C3)cn2cc1NC(=O)c1nc(C(F)(F)F)ccc1CCOc1cc2nc(C3CCCOC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MCSJMTQTAFGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44F6N8O6/c1-4-62-33-17-37-52-29(26-13-16-64-42(2,3)19-26)20-57(37)22-31(33)55-41(60)39-25(10-11-36(56-39)44(48,49)50)12-15-63-34-18-38-53-30(27-7-6-14-61-24-27)21-58(38)23-32(34)54-40(59)28-8-5-9-35(51-28)43(45,46)47/h5,8-11,17-18,20-23,26-27H,4,6-7,12-16,19,24H2,1-3H3,(H,54,59)(H,55,60).
What are the key properties of N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 894.87 g/mol, XLogP of 8.90, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyloxan-4-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-3-[2-[2-(oxan-3-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).