2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate

C48H36N14O4 — CID 123468492

IUPAC2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(Nc1c(C(=O)OCCc2cccn3c(NC(=O)Nc4c(-c5ccccc5)nc5ccccn45)c(-n4cccn4)nc23)nc2ccccn12)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C48H36N14O4/c63-46(39-43(60-27-12-9-22-36(60)52-39)56-47(64)54-41-37(31-15-3-1-4-16-31)50-34-20-7-10-25-58(34)41)66-30-23-33-19-13-28-61-40(33)53-45(62-29-14-24-49-62)44(61)57-48(65)55-42-38(32-17-5-2-6-18-32)51-35-21-8-11-26-59(35)42/h1-22,24-29H,23,30H2,(H2,54,56,64)(H2,55,57,65)
InChIKeyCBFLJBIGXAHXGI-UHFFFAOYSA-N
MW872.91 g/mol
LogP8.48
Rot. Bonds11

About 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate

2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 123468492) has the molecular formula C48H36N14O4 and a molecular weight of 872.91 g/mol. Its IUPAC name is 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID123468492
Molecular FormulaC48H36N14O4
Molecular Weight872.91 g/mol
Exact Mass872.30
IUPAC Name2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESO=C(Nc1c(C(=O)OCCc2cccn3c(NC(=O)Nc4c(-c5ccccc5)nc5ccccn45)c(-n4cccn4)nc23)nc2ccccn12)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C48H36N14O4/c63-46(39-43(60-27-12-9-22-36(60)52-39)56-47(64)54-41-37(31-15-3-1-4-16-31)50-34-20-7-10-25-58(34)41)66-30-23-33-19-13-28-61-40(33)53-45(62-29-14-24-49-62)44(61)57-48(65)55-42-38(32-17-5-2-6-18-32)51-35-21-8-11-26-59(35)42/h1-22,24-29H,23,30H2,(H2,54,56,64)(H2,55,57,65)
InChIKeyCBFLJBIGXAHXGI-UHFFFAOYSA-N
XLogP8.48
TPSA195.58 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.91
LogP ≤ 58.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

[3-Ethyl-8-[1-[[3-[3-[3-ethyl-2,6-dioxo-7-(pyridine-4-carbonyloxymethyl)-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2,6-dioxo-1-propylpurin-7-yl]methyl pyrimidine-2-carboxylate
CID 139476427
[3-ethyl-8-[1-[[3-[3-[3-ethyl-6-oxo-7-(pyridine-4-carbonyloxymethyl)-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2H-purin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2,6-dioxo-1-propylpurin-7-yl]methyl pyrimidine-2-carboxylate
CID 139477618
3-[6-(3-methylpiperidin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine-6-carboxamide;bis(2-methyl-6-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine);3-(6-piperidin-1-yl-2-pyridinyl)imidazo[1,2-a]pyrazine-6-carboxamide;1-[4-[2-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 160988330
[3-Ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 1-methylimidazole-2-carboxylate;[3-ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 1-methylimidazole-4-carboxylate;[3-ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl pyridine-4-carboxylate
CID 162110509
[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 167577923
1-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-cyclopropylurea;N-[4-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenyl]-3-methylmorpholine-4-carboxamide;ethyl 2-[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]amino]-1H-imidazole-5-carboxylate
CID 87151680
2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-methylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate
CID 91301558
methyl 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 132169744
[8-[(1R)-1-[[(5S)-4-[[2-(aminomethyl)phenyl]methyl]-1-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridine-2-carbonyl]-5-hydroxypiperidin-2-yl]methoxy]ethyl]-6-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]-[(3S)-4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]methanone
CID 156533210
8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 157133261
2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 157161071
7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 157184425

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate (CID 123468492) is 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate is O=C(Nc1c(C(=O)OCCc2cccn3c(NC(=O)Nc4c(-c5ccccc5)nc5ccccn45)c(-n4cccn4)nc23)nc2ccccn12)Nc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CBFLJBIGXAHXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N14O4/c63-46(39-43(60-27-12-9-22-36(60)52-39)56-47(64)54-41-37(31-15-3-1-4-16-31)50-34-20-7-10-25-58(34)41)66-30-23-33-19-13-28-61-40(33)53-45(62-29-14-24-49-62)44(61)57-48(65)55-42-38(32-17-5-2-6-18-32)51-35-21-8-11-26-59(35)42/h1-22,24-29H,23,30H2,(H2,54,56,64)(H2,55,57,65).
What are the key properties of 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate?
2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 872.91 g/mol, XLogP of 8.48, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]-2-pyrazol-1-ylimidazo[1,2-a]pyridin-8-yl]ethyl 3-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 123468492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).