5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine

C81H90N18O5 — CID 159746330

IUPAC5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCCCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CCOCCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1
InChIInChI=1S/C30H32N6O3.C26H30N6O.C25H28N6O/c1-2-39-18-17-34-13-15-35(16-14-34)30(38)21-3-6-24(7-4-21)33-26-9-10-27(36-12-11-31-28(26)36)22-5-8-25-23(19-22)20-32-29(25)37;1-3-13-30-15-17-31(18-16-30)22-6-4-21(5-7-22)29-23-8-9-24(32-14-12-28-26(23)32)20-10-11-27-25(19-20)33-2;1-3-29-14-16-30(17-15-29)21-6-4-20(5-7-21)28-22-8-9-23(31-13-12-27-25(22)31)19-10-11-26-24(18-19)32-2/h3-12,19,33H,2,13-18,20H2,1H3,(H,32,37);4-12,14,19,29H,3,13,15-18H2,1-2H3;4-13,18,28H,3,14-17H2,1-2H3
InChIKeyNDBVLDQUDWSCDC-UHFFFAOYSA-N
MW1395.73 g/mol
LogP12.75
Rot. Bonds21

About 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine

5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 159746330) has the molecular formula C81H90N18O5 and a molecular weight of 1395.73 g/mol. Its IUPAC name is 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID159746330
Molecular FormulaC81H90N18O5
Molecular Weight1395.73 g/mol
Exact Mass1394.73
IUPAC Name5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCCCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CCOCCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1
InChIInChI=1S/C30H32N6O3.C26H30N6O.C25H28N6O/c1-2-39-18-17-34-13-15-35(16-14-34)30(38)21-3-6-24(7-4-21)33-26-9-10-27(36-12-11-31-28(26)36)22-5-8-25-23(19-22)20-32-29(25)37;1-3-13-30-15-17-31(18-16-30)22-6-4-21(5-7-22)29-23-8-9-24(32-14-12-28-26(23)32)20-10-11-27-25(19-20)33-2;1-3-29-14-16-30(17-15-29)21-6-4-20(5-7-21)28-22-8-9-23(31-13-12-27-25(22)31)19-10-11-26-24(18-19)32-2/h3-12,19,33H,2,13-18,20H2,1H3,(H,32,37);4-12,14,19,29H,3,13,15-18H2,1-2H3;4-13,18,28H,3,14-17H2,1-2H3
InChIKeyNDBVLDQUDWSCDC-UHFFFAOYSA-N
XLogP12.75
TPSA207.07 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001395.73
LogP ≤ 512.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine 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
US10994015, Example 301
CID 135205142
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 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 159746330) is 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is CCCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CCN1CCN(c2ccc(Nc3ccc(-c4ccnc(OC)c4)n4ccnc34)cc2)CC1.CCOCCN1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)CNC5=O)n4ccnc34)cc2)CC1.
What is the InChIKey of 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is NDBVLDQUDWSCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3.C26H30N6O.C25H28N6O/c1-2-39-18-17-34-13-15-35(16-14-34)30(38)21-3-6-24(7-4-21)33-26-9-10-27(36-12-11-31-28(26)36)22-5-8-25-23(19-22)20-32-29(25)37;1-3-13-30-15-17-31(18-16-30)22-6-4-21(5-7-22)29-23-8-9-24(32-14-12-28-26(23)32)20-10-11-27-25(19-20)33-2;1-3-29-14-16-30(17-15-29)21-6-4-20(5-7-21)28-22-8-9-23(31-13-12-27-25(22)31)19-10-11-26-24(18-19)32-2/h3-12,19,33H,2,13-18,20H2,1H3,(H,32,37);4-12,14,19,29H,3,13,15-18H2,1-2H3;4-13,18,28H,3,14-17H2,1-2H3.
What are the key properties of 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 1395.73 g/mol, XLogP of 12.75, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-[4-(2-ethoxyethyl)piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-methoxy-4-pyridinyl)imidazo[1,2-a]pyridin-8-amine;5-(2-methoxy-4-pyridinyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 159746330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).