4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one

C112H97N21O8 — CID 158177612

IUPAC4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one
SMILESCOc1ccccc1C1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(NCc1cccnc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=C1NCC2C=C(c3ccc(Nc4ccc(-c5cccnc5)cc4)c4nccn34)C=CC12
InChIInChI=1S/C31H29N5O3.C30H27N5O2.C26H21N5O.C25H20N6O2/c1-39-28-5-3-2-4-25(28)21-13-17-35(18-14-21)31(38)22-6-8-24(9-7-22)34-26-10-11-27(36-19-16-33-30(26)36)23-12-15-32-29(37)20-23;36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;32-26-22-8-5-18(14-20(22)16-29-26)24-10-9-23(25-28-12-13-31(24)25)30-21-6-3-17(4-7-21)19-2-1-11-27-15-19;32-23-14-19(9-11-27-23)22-8-7-21(24-28-12-13-31(22)24)30-20-5-3-18(4-6-20)25(33)29-16-17-2-1-10-26-15-17/h2-12,15-16,19-21,34H,13-14,17-18H2,1H3,(H,32,37);1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);1-15,20,22,30H,16H2,(H,29,32);1-15,30H,16H2,(H,27,32)(H,29,33)
InChIKeyFYEPGSAIWSMIMG-UHFFFAOYSA-N
MW1865.15 g/mol
LogP19.13
Rot. Bonds21

About 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one

4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one (PubChem CID 158177612) has the molecular formula C112H97N21O8 and a molecular weight of 1865.15 g/mol. Its IUPAC name is 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one.

Molecular Properties

Compound Name4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one
PubChem CID158177612
Molecular FormulaC112H97N21O8
Molecular Weight1865.15 g/mol
Exact Mass1863.78
IUPAC Name4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one
SMILESCOc1ccccc1C1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(NCc1cccnc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=C1NCC2C=C(c3ccc(Nc4ccc(-c5cccnc5)cc4)c4nccn34)C=CC12
InChIInChI=1S/C31H29N5O3.C30H27N5O2.C26H21N5O.C25H20N6O2/c1-39-28-5-3-2-4-25(28)21-13-17-35(18-14-21)31(38)22-6-8-24(9-7-22)34-26-10-11-27(36-19-16-33-30(26)36)23-12-15-32-29(37)20-23;36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;32-26-22-8-5-18(14-20(22)16-29-26)24-10-9-23(25-28-12-13-31(24)25)30-21-6-3-17(4-7-21)19-2-1-11-27-15-19;32-23-14-19(9-11-27-23)22-8-7-21(24-28-12-13-31(22)24)30-20-5-3-18(4-6-20)25(33)29-16-17-2-1-10-26-15-17/h2-12,15-16,19-21,34H,13-14,17-18H2,1H3,(H,32,37);1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);1-15,20,22,30H,16H2,(H,29,32);1-15,30H,16H2,(H,27,32)(H,29,33)
InChIKeyFYEPGSAIWSMIMG-UHFFFAOYSA-N
XLogP19.13
TPSA349.73 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001865.15
LogP ≤ 519.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one with MolForge

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Launch Full Analysis

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
[(1R,4R,7R)-7-[[2-[5-[(1S,5R,8R)-6-azatricyclo[3.2.1.03,8]octane-6-carbonyl]-7-fluoro-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-5-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[6-methoxy-1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 145329876
1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-(piperazin-2-ylmethyl)piperidine-4-carboxamide
CID 149652791
[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]piperidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 150866096
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
4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 153612871
[4-[4-[[3-[4-(Difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-fluorobenzoyl]piperazin-1-yl]-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]methanone
CID 153613377
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

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one?
The IUPAC name of 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one (CID 158177612) is 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one.
What is the SMILES notation for 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one?
The canonical SMILES for 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one is COc1ccccc1C1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(NCc1cccnc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=C1NCC2C=C(c3ccc(Nc4ccc(-c5cccnc5)cc4)c4nccn34)C=CC12.
What is the InChIKey of 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one?
The InChIKey is FYEPGSAIWSMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3.C30H27N5O2.C26H21N5O.C25H20N6O2/c1-39-28-5-3-2-4-25(28)21-13-17-35(18-14-21)31(38)22-6-8-24(9-7-22)34-26-10-11-27(36-19-16-33-30(26)36)23-12-15-32-29(37)20-23;36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;32-26-22-8-5-18(14-20(22)16-29-26)24-10-9-23(25-28-12-13-31(24)25)30-21-6-3-17(4-7-21)19-2-1-11-27-15-19;32-23-14-19(9-11-27-23)22-8-7-21(24-28-12-13-31(22)24)30-20-5-3-18(4-6-20)25(33)29-16-17-2-1-10-26-15-17/h2-12,15-16,19-21,34H,13-14,17-18H2,1H3,(H,32,37);1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);1-15,20,22,30H,16H2,(H,29,32);1-15,30H,16H2,(H,27,32)(H,29,33).
What are the key properties of 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one?
4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one has a molecular weight of 1865.15 g/mol, XLogP of 19.13, 21 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one is sourced from PubChem (CID 158177612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).