N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C78H77F6N15O8 — CID 158421815

IUPACN-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(N(CCN(C)C)C(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1.CN(C)CCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1
InChIInChI=1S/C41H43F3N8O4.C37H34F3N7O4/c1-47(2)16-17-50(40(54)35-25-49-24-28(43)9-15-37(49)46-35)30-10-12-31(13-11-30)52-39(53)34-21-29(44)23-45-38(34)51(41(52)55)32-7-5-6-26(20-32)33-14-8-27(42)22-36(33)56-19-18-48(3)4;1-44(2)14-15-51-32-18-23(38)6-12-29(32)22-4-3-5-28(16-22)46-34-30(17-25(40)19-41-34)36(49)47(37(46)50)27-10-8-26(9-11-27)42-35(48)31-21-45-20-24(39)7-13-33(45)43-31/h5-9,14-15,20-25,30-31H,10-13,16-19H2,1-4H3;3-7,12-13,16-21,26-27H,8-11,14-15H2,1-2H3,(H,42,48)
InChIKeyHAOQOHFGFWXUDI-UHFFFAOYSA-N
MW1466.56 g/mol
LogP10.54
Rot. Bonds21

About N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 158421815) has the molecular formula C78H77F6N15O8 and a molecular weight of 1466.56 g/mol. Its IUPAC name is N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID158421815
Molecular FormulaC78H77F6N15O8
Molecular Weight1466.56 g/mol
Exact Mass1465.60
IUPAC NameN-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(C)CCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(N(CCN(C)C)C(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1.CN(C)CCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1
InChIInChI=1S/C41H43F3N8O4.C37H34F3N7O4/c1-47(2)16-17-50(40(54)35-25-49-24-28(43)9-15-37(49)46-35)30-10-12-31(13-11-30)52-39(53)34-21-29(44)23-45-38(34)51(41(52)55)32-7-5-6-26(20-32)33-14-8-27(42)22-36(33)56-19-18-48(3)4;1-44(2)14-15-51-32-18-23(38)6-12-29(32)22-4-3-5-28(16-22)46-34-30(17-25(40)19-41-34)36(49)47(37(46)50)27-10-8-26(9-11-27)42-35(48)31-21-45-20-24(39)7-13-33(45)43-31/h5-9,14-15,20-25,30-31H,10-13,16-19H2,1-4H3;3-7,12-13,16-21,26-27H,8-11,14-15H2,1-2H3,(H,42,48)
InChIKeyHAOQOHFGFWXUDI-UHFFFAOYSA-N
XLogP10.54
TPSA225.97 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001466.56
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190453
N-[4-[[5-fluoro-2-[3-[4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190464
N-[4-[[5-fluoro-2-[3-[4-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 59190565
3-[3-[2-[4-[4-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452855
(S)-(5-(5-(2-(1H-Imidazo[4,5-b]pyrazin-2-yl)propan-2-yl)-9-fluoro-5H-chromeno[2,3-b]pyridin-2-yl)pyridin-2-yl)(morpholino)methanone
CID 117910894
4-[6-[4-[4-[(6-aminopurin-9-yl)methyl]-5-[(3R)-3-amino-3-pyridin-2-ylpiperidin-1-yl]-2-pyridinyl]-2,6-difluorophenoxy]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176370908
4-[6-[4-[5-[(3R)-3-amino-3-[(1S)-2,2-difluoro-1-hydroxyethyl]piperidin-1-yl]-4-[(6-aminopurin-9-yl)methyl]-2-pyridinyl]-2,5-difluorophenoxy]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176370909
4-[4-[4-[4-[(6-aminopurin-9-yl)methyl]-5-[(3S)-3-amino-3-pyridin-2-ylpiperidin-1-yl]-2-pyridinyl]-2,6-difluorophenoxy]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176370912
4-[6-[[9-[[5-[(3S)-3-amino-3-pyridin-2-ylpiperidin-1-yl]-2-(3,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]amino]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176370913
4-[6-[[9-[[5-[(3R)-3-amino-3-[(1S)-2,2-difluoro-1-hydroxyethyl]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]amino]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176370917
2-[4-[5-[(3R)-3-amino-3-[(1S)-2,2-difluoro-1-hydroxyethyl]piperidin-1-yl]-4-[(6-aminopurin-9-yl)methyl]-2-pyridinyl]-2,5-difluorophenoxy]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]acetamide
CID 176370918
4-[4-[4-[4-[(6-aminopurin-9-yl)methyl]-5-[(3R)-3-amino-3-pyridin-2-ylpiperidin-1-yl]-2-pyridinyl]-2,6-difluorophenoxy]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 176370920

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 158421815) is N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is CN(C)CCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(N(CCN(C)C)C(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1.CN(C)CCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1.
What is the InChIKey of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HAOQOHFGFWXUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43F3N8O4.C37H34F3N7O4/c1-47(2)16-17-50(40(54)35-25-49-24-28(43)9-15-37(49)46-35)30-10-12-31(13-11-30)52-39(53)34-21-29(44)23-45-38(34)51(41(52)55)32-7-5-6-26(20-32)33-14-8-27(42)22-36(33)56-19-18-48(3)4;1-44(2)14-15-51-32-18-23(38)6-12-29(32)22-4-3-5-28(16-22)46-34-30(17-25(40)19-41-34)36(49)47(37(46)50)27-10-8-26(9-11-27)42-35(48)31-21-45-20-24(39)7-13-33(45)43-31/h5-9,14-15,20-25,30-31H,10-13,16-19H2,1-4H3;3-7,12-13,16-21,26-27H,8-11,14-15H2,1-2H3,(H,42,48).
What are the key properties of N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 1466.56 g/mol, XLogP of 10.54, 21 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-N-[2-(dimethylamino)ethyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide;N-[4-[1-[3-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]phenyl]-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 158421815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).