N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C81H92N18O4 — CID 157321467

IUPACN-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCC(C)CCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.COc1cc(-c2ccc(Nc3ccc(N4CCN(CCC(C)C)CC4)cc3)c3nccn23)ccn1
InChIInChI=1S/C28H34N6O.C27H32N6O.C26H26N6O2/c1-21(2)11-14-32-16-18-33(19-17-32)24-6-4-23(5-7-24)31-25-8-9-26(34-15-13-30-28(25)34)22-10-12-29-27(20-22)35-3;1-20(2)10-13-31-15-17-32(18-16-31)23-5-3-22(4-6-23)30-24-7-8-25(33-14-12-29-27(24)33)21-9-11-28-26(34)19-21;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h4-10,12-13,15,20-21,31H,11,14,16-19H2,1-3H3;3-9,11-12,14,19-20,30H,10,13,15-18H2,1-2H3,(H,28,34);3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyBEFFGZWXFGMLLP-UHFFFAOYSA-N
MW1381.75 g/mol
LogP13.20
Rot. Bonds22

About N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 157321467) has the molecular formula C81H92N18O4 and a molecular weight of 1381.75 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID157321467
Molecular FormulaC81H92N18O4
Molecular Weight1381.75 g/mol
Exact Mass1380.75
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCC(C)CCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.COc1cc(-c2ccc(Nc3ccc(N4CCN(CCC(C)C)CC4)cc3)c3nccn23)ccn1
InChIInChI=1S/C28H34N6O.C27H32N6O.C26H26N6O2/c1-21(2)11-14-32-16-18-33(19-17-32)24-6-4-23(5-7-24)31-25-8-9-26(34-15-13-30-28(25)34)22-10-12-29-27(20-22)35-3;1-20(2)10-13-31-15-17-32(18-16-31)23-5-3-22(4-6-23)30-24-7-8-25(33-14-12-29-27(24)33)21-9-11-28-26(34)19-21;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h4-10,12-13,15,20-21,31H,11,14,16-19H2,1-3H3;3-9,11-12,14,19-20,30H,10,13,15-18H2,1-2H3,(H,28,34);3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34)
InChIKeyBEFFGZWXFGMLLP-UHFFFAOYSA-N
XLogP13.20
TPSA217.37 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001381.75
LogP ≤ 513.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Related Compounds

3-[(1R)-1-[2-[7-[(1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 164555914
4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
CID 145113953
[1-[4-[[3-(3-Fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 150394758
1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-(2-imidazol-1-ylethyl)piperidine-4-carboxamide
CID 150743668
1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[2-(2-oxopiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 152609843
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1-[4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]piperidin-4-yl]methanone
CID 153612047
N-[3-[[4-[[3-(2,3-difluoro-4-pyrimidin-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzoyl]amino]propyl]-1-(pyrrolidin-3-ylmethyl)piperidine-4-carboxamide
CID 154943054
[4-[4-[[3-[4-(Difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[4-(piperazin-1-ylmethyl)phenyl]methanone
CID 154943490
1-[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)piperidine-4-carboxamide
CID 154959114
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
N-[4-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 157322814
Methyl 4-[6-(2-methoxyphenyl)-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate;methyl 4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 157353277

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 157321467) is N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CC(C)CCN1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.COc1cc(-c2ccc(Nc3ccc(N4CCN(CCC(C)C)CC4)cc3)c3nccn23)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is BEFFGZWXFGMLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C27H32N6O.C26H26N6O2/c1-21(2)11-14-32-16-18-33(19-17-32)24-6-4-23(5-7-24)31-25-8-9-26(34-15-13-30-28(25)34)22-10-12-29-27(20-22)35-3;1-20(2)10-13-31-15-17-32(18-16-31)23-5-3-22(4-6-23)30-24-7-8-25(33-14-12-29-27(24)33)21-9-11-28-26(34)19-21;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h4-10,12-13,15,20-21,31H,11,14,16-19H2,1-3H3;3-9,11-12,14,19-20,30H,10,13,15-18H2,1-2H3,(H,28,34);3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1381.75 g/mol, XLogP of 13.20, 22 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-(2-methoxy-4-pyridinyl)-N-[4-[4-(3-methylbutyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-8-amine;4-[8-[4-[4-(3-methylbutyl)piperazin-1-yl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 157321467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).