2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide

C72H67F4N15O7S — CID 159727599

IUPAC2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1F.NS(=O)(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1
InChIInChI=1S/C25H24FN5O2.C24H21F2N5O2.C23H22FN5O3S/c1-17(32)28-19-4-2-18(3-5-19)23-9-7-22(25-27-10-11-31(23)25)29-20-6-8-24(21(26)16-20)30-12-14-33-15-13-30;25-18-13-15(1-3-17(18)23(27)32)21-6-4-20(24-28-7-8-31(21)24)29-16-2-5-22(19(26)14-16)30-9-11-33-12-10-30;24-19-15-17(3-7-22(19)28-11-13-32-14-12-28)27-20-6-8-21(29-10-9-26-23(20)29)16-1-4-18(5-2-16)33(25,30)31/h2-11,16,29H,12-15H2,1H3,(H,28,32);1-8,13-14,29H,9-12H2,(H2,27,32);1-10,15,27H,11-14H2,(H2,25,30,31)
InChIKeyNAVGGHQFEPPRPL-UHFFFAOYSA-N
MW1362.48 g/mol
LogP12.01
Rot. Bonds15

About 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide

2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide (PubChem CID 159727599) has the molecular formula C72H67F4N15O7S and a molecular weight of 1362.48 g/mol. Its IUPAC name is 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide
PubChem CID159727599
Molecular FormulaC72H67F4N15O7S
Molecular Weight1362.48 g/mol
Exact Mass1361.50
IUPAC Name2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1F.NS(=O)(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1
InChIInChI=1S/C25H24FN5O2.C24H21F2N5O2.C23H22FN5O3S/c1-17(32)28-19-4-2-18(3-5-19)23-9-7-22(25-27-10-11-31(23)25)29-20-6-8-24(21(26)16-20)30-12-14-33-15-13-30;25-18-13-15(1-3-17(18)23(27)32)21-6-4-20(24-28-7-8-31(21)24)29-16-2-5-22(19(26)14-16)30-9-11-33-12-10-30;24-19-15-17(3-7-22(19)28-11-13-32-14-12-28)27-20-6-8-21(29-10-9-26-23(20)29)16-1-4-18(5-2-16)33(25,30)31/h2-11,16,29H,12-15H2,1H3,(H,28,32);1-8,13-14,29H,9-12H2,(H2,27,32);1-10,15,27H,11-14H2,(H2,25,30,31)
InChIKeyNAVGGHQFEPPRPL-UHFFFAOYSA-N
XLogP12.01
TPSA257.75 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001362.48
LogP ≤ 512.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide with MolForge

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Related Compounds

Methyl 4-[[2-[4-[2-[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-7-yl]ethylcarbamoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxylate
CID 154965464
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 158159228
N-cyclohexyl-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[4-(2-methoxyethyl)piperazine-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide;4-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 159075862
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)-2-methylimidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 160534360
5-[3-(2,3-difluorophenyl)-2-hexylimidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 160643215
5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 161015351
5-[3-(2,3-difluorophenyl)-2-(2-methoxyethoxymethyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide;methane;N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 164011207
Imidazo[1, 2,2'-[1,4-phenylenebis (carbonylimino-4,1-phenylene)]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
CID 24201917
1-N,4-N-bis[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
CID 461782
N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 16325027
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide
CID 123471580
2,6-difluoro-N-[3-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 123913456

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide (CID 159727599) is 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1F.NS(=O)(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1.
What is the InChIKey of 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide?
The InChIKey is NAVGGHQFEPPRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2.C24H21F2N5O2.C23H22FN5O3S/c1-17(32)28-19-4-2-18(3-5-19)23-9-7-22(25-27-10-11-31(23)25)29-20-6-8-24(21(26)16-20)30-12-14-33-15-13-30;25-18-13-15(1-3-17(18)23(27)32)21-6-4-20(24-28-7-8-31(21)24)29-16-2-5-22(19(26)14-16)30-9-11-33-12-10-30;24-19-15-17(3-7-22(19)28-11-13-32-14-12-28)27-20-6-8-21(29-10-9-26-23(20)29)16-1-4-18(5-2-16)33(25,30)31/h2-11,16,29H,12-15H2,1H3,(H,28,32);1-8,13-14,29H,9-12H2,(H2,27,32);1-10,15,27H,11-14H2,(H2,25,30,31).
What are the key properties of 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide?
2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide has a molecular weight of 1362.48 g/mol, XLogP of 12.01, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide;N-[4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 159727599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).