N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile

C186H171N41O36 — CID 158168993

IUPACN-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCCN1CCN(C(=NO)c2cnc3cc([C@]4(CN5Cc6ccc(C)cc6C5=O)NC(=O)NC4=O)oc3c2)CC1.COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(C)cc5C4=O)NC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cccc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cncc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(C(=O)NCCN(C)C)ccc4o3)NC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=NO)N5CCN(c6cnccn6)CC5)cc4o3)NC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)NCCN(C)C)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C29H27N9O5.C28H20N4O5.C27H29N7O5.C27H19N5O5.2C25H26N6O5.C25H24N4O6/c1-17-2-3-18-15-38(26(39)20(18)10-17)16-29(27(40)33-28(41)34-29)23-12-21-22(43-23)11-19(13-32-21)25(35-42)37-8-6-36(7-9-37)24-14-30-4-5-31-24;1-36-19-6-5-18-14-32(26(34)20(18)10-19)15-28(12-25(33)31-27(28)35)24-11-22-23(37-24)8-7-21(30-22)17-4-2-3-16(9-17)13-29;1-3-32-6-8-33(9-7-32)23(31-38)18-11-21-20(28-13-18)12-22(39-21)27(25(36)29-26(37)30-27)15-34-14-17-5-4-16(2)10-19(17)24(34)35;1-36-18-3-2-16-13-32(25(34)19(16)7-18)14-27(9-24(33)31-26(27)35)23-8-21-22(37-23)5-4-20(30-21)17-6-15(10-28)11-29-12-17;1-14-4-5-15-12-31(22(33)17(15)8-14)13-25(23(34)28-24(35)29-25)20-10-18-19(36-20)9-16(11-27-18)21(32)26-6-7-30(2)3;1-14-4-5-15-12-31(22(33)16(15)10-14)13-25(23(34)28-24(35)29-25)20-11-18-19(36-20)7-6-17(27-18)21(32)26-8-9-30(2)3;1-14-5-6-15-12-29(22(31)17(15)8-14)13-25(23(32)27-24(33)28-25)21-10-18-20(35-21)9-16(11-26-18)19(30)4-3-7-34-2/h2-5,10-14,42H,6-9,15-16H2,1H3,(H2,33,34,40,41);2-11H,12,14-15H2,1H3,(H,31,33,35);4-5,10-13,38H,3,6-9,14-15H2,1-2H3,(H2,29,30,36,37);2-8,11-12H,9,13-14H2,1H3,(H,31,33,35);4-5,8-11H,6-7,12-13H2,1-3H3,(H,26,32)(H2,28,29,34,35);4-7,10-11H,8-9,12-13H2,1-3H3,(H,26,32)(H2,28,29,34,35);5-6,8-11H,3-4,7,12-13H2,1-2H3,(H2,27,28,32,33)/t29-;28-;2*27-;3*25-/m0101000/s1
InChIKeyFXFGRHHXMVIRGX-CNGLAXISSA-N
MW3556.66 g/mol
LogP13.87
Rot. Bonds42

About N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile

N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile (PubChem CID 158168993) has the molecular formula C186H171N41O36 and a molecular weight of 3556.66 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile
PubChem CID158168993
Molecular FormulaC186H171N41O36
Molecular Weight3556.66 g/mol
Exact Mass3554.28
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile
SMILESCCN1CCN(C(=NO)c2cnc3cc([C@]4(CN5Cc6ccc(C)cc6C5=O)NC(=O)NC4=O)oc3c2)CC1.COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(C)cc5C4=O)NC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cccc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cncc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(C(=O)NCCN(C)C)ccc4o3)NC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=NO)N5CCN(c6cnccn6)CC5)cc4o3)NC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)NCCN(C)C)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C29H27N9O5.C28H20N4O5.C27H29N7O5.C27H19N5O5.2C25H26N6O5.C25H24N4O6/c1-17-2-3-18-15-38(26(39)20(18)10-17)16-29(27(40)33-28(41)34-29)23-12-21-22(43-23)11-19(13-32-21)25(35-42)37-8-6-36(7-9-37)24-14-30-4-5-31-24;1-36-19-6-5-18-14-32(26(34)20(18)10-19)15-28(12-25(33)31-27(28)35)24-11-22-23(37-24)8-7-21(30-22)17-4-2-3-16(9-17)13-29;1-3-32-6-8-33(9-7-32)23(31-38)18-11-21-20(28-13-18)12-22(39-21)27(25(36)29-26(37)30-27)15-34-14-17-5-4-16(2)10-19(17)24(34)35;1-36-18-3-2-16-13-32(25(34)19(16)7-18)14-27(9-24(33)31-26(27)35)23-8-21-22(37-23)5-4-20(30-21)17-6-15(10-28)11-29-12-17;1-14-4-5-15-12-31(22(33)17(15)8-14)13-25(23(34)28-24(35)29-25)20-10-18-19(36-20)9-16(11-27-18)21(32)26-6-7-30(2)3;1-14-4-5-15-12-31(22(33)16(15)10-14)13-25(23(34)28-24(35)29-25)20-11-18-19(36-20)7-6-17(27-18)21(32)26-8-9-30(2)3;1-14-5-6-15-12-29(22(31)17(15)8-14)13-25(23(32)27-24(33)28-25)21-10-18-20(35-21)9-16(11-26-18)19(30)4-3-7-34-2/h2-5,10-14,42H,6-9,15-16H2,1H3,(H2,33,34,40,41);2-11H,12,14-15H2,1H3,(H,31,33,35);4-5,10-13,38H,3,6-9,14-15H2,1-2H3,(H2,29,30,36,37);2-8,11-12H,9,13-14H2,1H3,(H,31,33,35);4-5,8-11H,6-7,12-13H2,1-3H3,(H,26,32)(H2,28,29,34,35);4-7,10-11H,8-9,12-13H2,1-3H3,(H,26,32)(H2,28,29,34,35);5-6,8-11H,3-4,7,12-13H2,1-2H3,(H2,27,28,32,33)/t29-;28-;2*27-;3*25-/m0101000/s1
InChIKeyFXFGRHHXMVIRGX-CNGLAXISSA-N
XLogP13.87
TPSA981.55 Ų
H-Bond Donors16
H-Bond Acceptors54
Rotatable Bonds42
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003556.66
LogP ≤ 513.87
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1054

Analyze N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile (CID 158168993) is N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile is CCN1CCN(C(=NO)c2cnc3cc([C@]4(CN5Cc6ccc(C)cc6C5=O)NC(=O)NC4=O)oc3c2)CC1.COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(C)cc5C4=O)NC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cccc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cncc(C#N)c5)ccc4o3)CC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(C(=O)NCCN(C)C)ccc4o3)NC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=NO)N5CCN(c6cnccn6)CC5)cc4o3)NC(=O)NC1=O)C2.Cc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)NCCN(C)C)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
The InChIKey is FXFGRHHXMVIRGX-CNGLAXISSA-N. The full InChI is InChI=1S/C29H27N9O5.C28H20N4O5.C27H29N7O5.C27H19N5O5.2C25H26N6O5.C25H24N4O6/c1-17-2-3-18-15-38(26(39)20(18)10-17)16-29(27(40)33-28(41)34-29)23-12-21-22(43-23)11-19(13-32-21)25(35-42)37-8-6-36(7-9-37)24-14-30-4-5-31-24;1-36-19-6-5-18-14-32(26(34)20(18)10-19)15-28(12-25(33)31-27(28)35)24-11-22-23(37-24)8-7-21(30-22)17-4-2-3-16(9-17)13-29;1-3-32-6-8-33(9-7-32)23(31-38)18-11-21-20(28-13-18)12-22(39-21)27(25(36)29-26(37)30-27)15-34-14-17-5-4-16(2)10-19(17)24(34)35;1-36-18-3-2-16-13-32(25(34)19(16)7-18)14-27(9-24(33)31-26(27)35)23-8-21-22(37-23)5-4-20(30-21)17-6-15(10-28)11-29-12-17;1-14-4-5-15-12-31(22(33)17(15)8-14)13-25(23(34)28-24(35)29-25)20-10-18-19(36-20)9-16(11-27-18)21(32)26-6-7-30(2)3;1-14-4-5-15-12-31(22(33)16(15)10-14)13-25(23(34)28-24(35)29-25)20-11-18-19(36-20)7-6-17(27-18)21(32)26-8-9-30(2)3;1-14-5-6-15-12-29(22(31)17(15)8-14)13-25(23(32)27-24(33)28-25)21-10-18-20(35-21)9-16(11-26-18)19(30)4-3-7-34-2/h2-5,10-14,42H,6-9,15-16H2,1H3,(H2,33,34,40,41);2-11H,12,14-15H2,1H3,(H,31,33,35);4-5,10-13,38H,3,6-9,14-15H2,1-2H3,(H2,29,30,36,37);2-8,11-12H,9,13-14H2,1H3,(H,31,33,35);4-5,8-11H,6-7,12-13H2,1-3H3,(H,26,32)(H2,28,29,34,35);4-7,10-11H,8-9,12-13H2,1-3H3,(H,26,32)(H2,28,29,34,35);5-6,8-11H,3-4,7,12-13H2,1-2H3,(H2,27,28,32,33)/t29-;28-;2*27-;3*25-/m0101000/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile?
N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile has a molecular weight of 3556.66 g/mol, XLogP of 13.87, 42 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-5-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(4S)-4-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridine-6-carboxamide;(5S)-5-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-5-[(5-methyl-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;3-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]benzonitrile;5-[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]furo[3,2-b]pyridin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 158168993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).