2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C114H115F2N19O11 — CID 159180942

IUPAC2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Cc2cccc(-c3cc(Nc4ccccc4)c4nccn4c3)c2)cc1.CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1.Cc1c(CC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C35H38N4O4.C31H29N3O.C26H24FN7O3.C22H24FN5O3/c1-23-26(21-31(40)24-9-13-27(14-10-24)35(2,3)4)7-6-8-29(23)30-22-38(5)34(42)32(37-30)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39;1-31(2,3)26-14-12-23(13-15-26)29(35)19-22-8-7-9-24(18-22)25-20-28(30-32-16-17-34(30)21-25)33-27-10-5-4-6-11-27;1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h6-16,22H,17-21H2,1-5H3,(H,36,37);4-18,20-21,33H,19H2,1-3H3;4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34);4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyKMWOJANVBIACID-UHFFFAOYSA-N
MW1965.29 g/mol
LogP22.64
Rot. Bonds32

About 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide

2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 159180942) has the molecular formula C114H115F2N19O11 and a molecular weight of 1965.29 g/mol. Its IUPAC name is 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID159180942
Molecular FormulaC114H115F2N19O11
Molecular Weight1965.29 g/mol
Exact Mass1963.90
IUPAC Name2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Cc2cccc(-c3cc(Nc4ccccc4)c4nccn4c3)c2)cc1.CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1.Cc1c(CC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C35H38N4O4.C31H29N3O.C26H24FN7O3.C22H24FN5O3/c1-23-26(21-31(40)24-9-13-27(14-10-24)35(2,3)4)7-6-8-29(23)30-22-38(5)34(42)32(37-30)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39;1-31(2,3)26-14-12-23(13-15-26)29(35)19-22-8-7-9-24(18-22)25-20-28(30-32-16-17-34(30)21-25)33-27-10-5-4-6-11-27;1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h6-16,22H,17-21H2,1-5H3,(H,36,37);4-18,20-21,33H,19H2,1-3H3;4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34);4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyKMWOJANVBIACID-UHFFFAOYSA-N
XLogP22.64
TPSA367.49 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001965.29
LogP ≤ 522.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;2-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-4-methyl-2-[3-[[4-(morpholine-4-carbonyl)phenyl]methyl]anilino]-2H-pyrazin-4-ium-3-one;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide;N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162244545
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,4-oxazepane-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895059
4-tert-butyl-2-[[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]anilino]methyl]benzoic acid
CID 66610147
4-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 11851477
ethyl 4-tert-butyl-2-[[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]anilino]methyl]benzoate
CID 66610366
6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
4-tert-butyl-N-[3-[6-[3-fluoro-4-(morpholin-4-ylmethyl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide
CID 66894885
N-[3-[6-[3-(benzylamino)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 66895931
5-[3-[1-(4-tert-butylphenyl)ethenylamino]-2-methylphenyl]-3-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]anilino]-1-methylpyrazin-2-one
CID 59374901
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-N-propan-2-ylbenzamide
CID 171457687
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,3-oxazinane-3-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 126668115
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 159180942) is 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CC(C)(C)c1ccc(C(=O)Cc2cccc(-c3cc(Nc4ccccc4)c4nccn4c3)c2)cc1.CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1.CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1.Cc1c(CC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is KMWOJANVBIACID-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O4.C31H29N3O.C26H24FN7O3.C22H24FN5O3/c1-23-26(21-31(40)24-9-13-27(14-10-24)35(2,3)4)7-6-8-29(23)30-22-38(5)34(42)32(37-30)36-28-15-11-25(12-16-28)33(41)39-17-19-43-20-18-39;1-31(2,3)26-14-12-23(13-15-26)29(35)19-22-8-7-9-24(18-22)25-20-28(30-32-16-17-34(30)21-25)33-27-10-5-4-6-11-27;1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2;1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h6-16,22H,17-21H2,1-5H3,(H,36,37);4-18,20-21,33H,19H2,1-3H3;4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34);4-10,13-14H,3,11-12H2,1-2H3,(H,25,29)(H2,24,26,27,28).
What are the key properties of 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 1965.29 g/mol, XLogP of 22.64, 32 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-anilinoimidazo[1,2-a]pyridin-6-yl)phenyl]-1-(4-tert-butylphenyl)ethanone;5-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2-methylphenyl]-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one;N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide;4-[4-[[5-fluoro-4-[3-(propanoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 159180942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).