6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide

C44H50F2N8O6 — CID 155449076

IUPAC6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide
SMILESCOc1c(NC(=O)c2cccc(C(C)(F)F)n2)cc2cn(C3CCC(CN4CCC(CCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2c1C
InChIInChI=1S/C44H50F2N8O6/c1-25-38-28(22-33(39(25)60-3)49-40(56)32-8-5-9-35(48-32)44(2,45)46)24-53(51-38)29-12-10-27(11-13-29)23-52-20-17-26(18-21-52)16-19-47-31-7-4-6-30-37(31)43(59)54(42(30)58)34-14-15-36(55)50-41(34)57/h4-9,22,24,26-27,29,34,47H,10-21,23H2,1-3H3,(H,49,56)(H,50,55,57)
InChIKeyVKLHZGIAJVSBFS-UHFFFAOYSA-N
MW824.93 g/mol
LogP6.46
Rot. Bonds12

About 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide (PubChem CID 155449076) has the molecular formula C44H50F2N8O6 and a molecular weight of 824.93 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide
PubChem CID155449076
Molecular FormulaC44H50F2N8O6
Molecular Weight824.93 g/mol
Exact Mass824.38
IUPAC Name6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide
SMILESCOc1c(NC(=O)c2cccc(C(C)(F)F)n2)cc2cn(C3CCC(CN4CCC(CCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2c1C
InChIInChI=1S/C44H50F2N8O6/c1-25-38-28(22-33(39(25)60-3)49-40(56)32-8-5-9-35(48-32)44(2,45)46)24-53(51-38)29-12-10-27(11-13-29)23-52-20-17-26(18-21-52)16-19-47-31-7-4-6-30-37(31)43(59)54(42(30)58)34-14-15-36(55)50-41(34)57/h4-9,22,24,26-27,29,34,47H,10-21,23H2,1-3H3,(H,49,56)(H,50,55,57)
InChIKeyVKLHZGIAJVSBFS-UHFFFAOYSA-N
XLogP6.46
TPSA167.86 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.93
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide (CID 155449076) is 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide is COc1c(NC(=O)c2cccc(C(C)(F)F)n2)cc2cn(C3CCC(CN4CCC(CCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)nc2c1C.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide?
The InChIKey is VKLHZGIAJVSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50F2N8O6/c1-25-38-28(22-33(39(25)60-3)49-40(56)32-8-5-9-35(48-32)44(2,45)46)24-53(51-38)29-12-10-27(11-13-29)23-52-20-17-26(18-21-52)16-19-47-31-7-4-6-30-37(31)43(59)54(42(30)58)34-14-15-36(55)50-41(34)57/h4-9,22,24,26-27,29,34,47H,10-21,23H2,1-3H3,(H,49,56)(H,50,55,57).
What are the key properties of 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide?
6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide has a molecular weight of 824.93 g/mol, XLogP of 6.46, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-[2-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxy-7-methylindazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155449076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).