N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C80H87N17O5 — CID 159037236

IUPACN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCCCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.COCCN(C)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.COc1cc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3nccn23)ccn1
InChIInChI=1S/C29H34N6O.C26H25N5O3.C25H28N6O/c1-36-28-21-22(13-14-30-28)27-12-11-26(29-31-15-16-35(27)29)32-23-7-9-25(10-8-23)34-19-17-33(18-20-34)24-5-3-2-4-6-24;1-30(13-14-34-2)26(33)17-3-6-20(7-4-17)29-22-9-10-23(31-12-11-27-24(22)31)18-5-8-21-19(15-18)16-28-25(21)32;1-2-12-29-14-16-30(17-15-29)21-5-3-20(4-6-21)28-22-7-8-23(31-13-11-27-25(22)31)19-9-10-26-24(32)18-19/h7-16,21,24,32H,2-6,17-20H2,1H3;3-12,15,29H,13-14,16H2,1-2H3,(H,28,32);3-11,13,18,28H,2,12,14-17H2,1H3,(H,26,32)
InChIKeyJVPIZQHFWGWLGV-UHFFFAOYSA-N
MW1366.69 g/mol
LogP13.28
Rot. Bonds19

About N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 159037236) has the molecular formula C80H87N17O5 and a molecular weight of 1366.69 g/mol. Its IUPAC name is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID159037236
Molecular FormulaC80H87N17O5
Molecular Weight1366.69 g/mol
Exact Mass1365.71
IUPAC NameN-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCCCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.COCCN(C)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.COc1cc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3nccn23)ccn1
InChIInChI=1S/C29H34N6O.C26H25N5O3.C25H28N6O/c1-36-28-21-22(13-14-30-28)27-12-11-26(29-31-15-16-35(27)29)32-23-7-9-25(10-8-23)34-19-17-33(18-20-34)24-5-3-2-4-6-24;1-30(13-14-34-2)26(33)17-3-6-20(7-4-17)29-22-9-10-23(31-12-11-27-24(22)31)18-5-8-21-19(15-18)16-28-25(21)32;1-2-12-29-14-16-30(17-15-29)21-5-3-20(4-6-21)28-22-7-8-23(31-13-11-27-25(22)31)19-9-10-26-24(32)18-19/h7-16,21,24,32H,2-6,17-20H2,1H3;3-12,15,29H,13-14,16H2,1-2H3,(H,28,32);3-11,13,18,28H,2,12,14-17H2,1H3,(H,26,32)
InChIKeyJVPIZQHFWGWLGV-UHFFFAOYSA-N
XLogP13.28
TPSA214.57 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001366.69
LogP ≤ 513.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

n-(2,6-Difluorophenyl)-3-[3-(2-{[4-{4-[(1s,4s)-5-(2-fluoroethyl)-2,5-diazabicyclo-[2.2.1]hept-2-yl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 87090176
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[(1R,4R)-5-(2-fluoroethyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452876
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[(1R,4R)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59860254
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 72580460
3-cyano-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]-4-[1-[2-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-2-[[3-(trifluoromethyl)benzoyl]amino]imidazo[4,5-c]pyridin-6-yl]oxyethyl]piperidin-4-yl]benzamide
CID 123687599
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177
7-[[5-[4-[7-fluoro-3-[7-[[5-[(3R,4R)-4-fluoro-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyridin-8-yl]oxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156166587
2-[4-[3-(diethylamino)propoxy]-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-(4-methyl-2-pyridinyl)ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 157123825
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide;2-[3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)amino]-4-methylphenyl]-1-(3-methylphenyl)ethanone;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide;4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide;4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 157613639
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
6-[4-(3-Acetylcyclopentyl)phenyl]-8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[6-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-2-yl)phenyl]-8-(oxolan-3-yl)-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158304850

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 159037236) is N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CCCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.COCCN(C)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.COc1cc(-c2ccc(Nc3ccc(N4CCN(C5CCCCC5)CC4)cc3)c3nccn23)ccn1.
What is the InChIKey of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is JVPIZQHFWGWLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O.C26H25N5O3.C25H28N6O/c1-36-28-21-22(13-14-30-28)27-12-11-26(29-31-15-16-35(27)29)32-23-7-9-25(10-8-23)34-19-17-33(18-20-34)24-5-3-2-4-6-24;1-30(13-14-34-2)26(33)17-3-6-20(7-4-17)29-22-9-10-23(31-12-11-27-24(22)31)18-5-8-21-19(15-18)16-28-25(21)32;1-2-12-29-14-16-30(17-15-29)21-5-3-20(4-6-21)28-22-7-8-23(31-13-11-27-25(22)31)19-9-10-26-24(32)18-19/h7-16,21,24,32H,2-6,17-20H2,1H3;3-12,15,29H,13-14,16H2,1-2H3,(H,28,32);3-11,13,18,28H,2,12,14-17H2,1H3,(H,26,32).
What are the key properties of N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1366.69 g/mol, XLogP of 13.28, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;N-(2-methoxyethyl)-N-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159037236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).