3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C66H55N17O4S2 — CID 123445523

IUPAC3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)c1nc2ccccn2c1NC(=O)Nc1c(-c2cccc(-c3cccc(-c4ncn(C)c4NC(=O)Nc4sc(Cc5cccc(-c6nc(C)n(C)c6NC(=O)Nc6sc(C)nc6-c6ccccc6)c5)nc4-c4ccccc4)c3)c2)nc2ccccn12
InChIInChI=1S/C66H55N17O4S2/c1-38-69-52(58(81(38)5)75-66(87)78-62-54(70-39(2)88-62)41-20-8-6-9-21-41)45-26-16-19-40(33-45)34-50-73-55(42-22-10-7-11-23-42)63(89-50)79-65(86)74-57-51(68-37-80(57)4)46-27-17-24-43(35-46)44-25-18-28-47(36-44)53-59(82-31-14-12-29-48(82)71-53)76-64(85)77-60-56(61(84)67-3)72-49-30-13-15-32-83(49)60/h6-33,35-37H,34H2,1-5H3,(H,67,84)(H2,74,79,86)(H2,75,78,87)(H2,76,77,85)
InChIKeyAEUBSQOBVSAZFK-UHFFFAOYSA-N
MW1214.41 g/mol
LogP13.86
Rot. Bonds15

About 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 123445523) has the molecular formula C66H55N17O4S2 and a molecular weight of 1214.41 g/mol. Its IUPAC name is 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID123445523
Molecular FormulaC66H55N17O4S2
Molecular Weight1214.41 g/mol
Exact Mass1213.41
IUPAC Name3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)c1nc2ccccn2c1NC(=O)Nc1c(-c2cccc(-c3cccc(-c4ncn(C)c4NC(=O)Nc4sc(Cc5cccc(-c6nc(C)n(C)c6NC(=O)Nc6sc(C)nc6-c6ccccc6)c5)nc4-c4ccccc4)c3)c2)nc2ccccn12
InChIInChI=1S/C66H55N17O4S2/c1-38-69-52(58(81(38)5)75-66(87)78-62-54(70-39(2)88-62)41-20-8-6-9-21-41)45-26-16-19-40(33-45)34-50-73-55(42-22-10-7-11-23-42)63(89-50)79-65(86)74-57-51(68-37-80(57)4)46-27-17-24-43(35-46)44-25-18-28-47(36-44)53-59(82-31-14-12-29-48(82)71-53)76-64(85)77-60-56(61(84)67-3)72-49-30-13-15-32-83(49)60/h6-33,35-37H,34H2,1-5H3,(H,67,84)(H2,74,79,86)(H2,75,78,87)(H2,76,77,85)
InChIKeyAEUBSQOBVSAZFK-UHFFFAOYSA-N
XLogP13.86
TPSA248.51 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001214.41
LogP ≤ 513.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 56598444
2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide
CID 84973084
2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 88561624
3-Ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1,3-thiazol-2-yl)phenyl]methyl]purine-2,6-dione
CID 134205589
N-[1-[2-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
CID 142728599
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
(2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]-N-[12-oxo-12-[4-[5-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]-2-pyridinyl]piperazin-1-yl]dodecyl]propanamide
CID 170559972
N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 24816052
2-methyl-N-[[(4R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 25072168
Imidazo[1,2-a]pyridine-3-carboxylic acid[(1s,2s,5r)-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-amide
CID 25182675
N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 44469474

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 123445523) is 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CNC(=O)c1nc2ccccn2c1NC(=O)Nc1c(-c2cccc(-c3cccc(-c4ncn(C)c4NC(=O)Nc4sc(Cc5cccc(-c6nc(C)n(C)c6NC(=O)Nc6sc(C)nc6-c6ccccc6)c5)nc4-c4ccccc4)c3)c2)nc2ccccn12.
What is the InChIKey of 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AEUBSQOBVSAZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N17O4S2/c1-38-69-52(58(81(38)5)75-66(87)78-62-54(70-39(2)88-62)41-20-8-6-9-21-41)45-26-16-19-40(33-45)34-50-73-55(42-22-10-7-11-23-42)63(89-50)79-65(86)74-57-51(68-37-80(57)4)46-27-17-24-43(35-46)44-25-18-28-47(36-44)53-59(82-31-14-12-29-48(82)71-53)76-64(85)77-60-56(61(84)67-3)72-49-30-13-15-32-83(49)60/h6-33,35-37H,34H2,1-5H3,(H,67,84)(H2,74,79,86)(H2,75,78,87)(H2,76,77,85).
What are the key properties of 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 1214.41 g/mol, XLogP of 13.86, 15 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-[3-[5-[[2-[[3-[1,2-dimethyl-5-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamoylamino]imidazol-4-yl]phenyl]methyl]-4-phenyl-1,3-thiazol-5-yl]carbamoylamino]-1-methylimidazol-4-yl]phenyl]phenyl]imidazo[1,2-a]pyridin-3-yl]carbamoylamino]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 123445523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).