4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

C149H151Cl3F9N45O15 — CID 158788511

IUPAC4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESCN(C)Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ncc1Nc1ccc(-c2cccc(O)c2)c(Cl)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccc(O)c3)c(Cl)c2)cn1
InChIInChI=1S/C27H25ClFN7O3.2C26H23ClFN7O3.C24H26F4N8O2.2C23H27FN8O2/c1-16-11-23(26(38)34-35-27-31-14-22(29)25(33-27)36-7-9-39-10-8-36)30-15-24(16)32-18-5-6-20(21(28)13-18)17-3-2-4-19(37)12-17;27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17;27-21-13-17(4-6-20(21)16-2-1-3-19(36)12-16)31-18-5-7-23(29-14-18)25(37)33-34-26-30-15-22(28)24(32-26)35-8-10-38-11-9-35;1-35(2)14-15-9-16(24(26,27)28)11-18(10-15)31-17-3-4-20(29-12-17)22(37)33-34-23-30-13-19(25)21(32-23)36-5-7-38-8-6-36;1-31(2)15-16-3-5-17(6-4-16)27-18-7-8-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-9-11-34-12-10-32;1-31(2)15-16-4-3-5-17(12-16)27-18-6-7-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-8-10-34-11-9-32/h2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,31,33,35);2*1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34);3-4,9-13,31H,5-8,14H2,1-2H3,(H,33,37)(H,30,32,34);3-8,13-14,27H,9-12,15H2,1-2H3,(H,29,33)(H,26,28,30);3-7,12-14,27H,8-11,15H2,1-2H3,(H,29,33)(H,26,28,30)
InChIKeyIRZCNTASRINJBW-UHFFFAOYSA-N
MW3089.49 g/mol
LogP21.68
Rot. Bonds45

About 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide

4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 158788511) has the molecular formula C149H151Cl3F9N45O15 and a molecular weight of 3089.49 g/mol. Its IUPAC name is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
PubChem CID158788511
Molecular FormulaC149H151Cl3F9N45O15
Molecular Weight3089.49 g/mol
Exact Mass3086.14
IUPAC Name4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
SMILESCN(C)Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ncc1Nc1ccc(-c2cccc(O)c2)c(Cl)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccc(O)c3)c(Cl)c2)cn1
InChIInChI=1S/C27H25ClFN7O3.2C26H23ClFN7O3.C24H26F4N8O2.2C23H27FN8O2/c1-16-11-23(26(38)34-35-27-31-14-22(29)25(33-27)36-7-9-39-10-8-36)30-15-24(16)32-18-5-6-20(21(28)13-18)17-3-2-4-19(37)12-17;27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17;27-21-13-17(4-6-20(21)16-2-1-3-19(36)12-16)31-18-5-7-23(29-14-18)25(37)33-34-26-30-15-22(28)24(32-26)35-8-10-38-11-9-35;1-35(2)14-15-9-16(24(26,27)28)11-18(10-15)31-17-3-4-20(29-12-17)22(37)33-34-23-30-13-19(25)21(32-23)36-5-7-38-8-6-36;1-31(2)15-16-3-5-17(6-4-16)27-18-7-8-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-9-11-34-12-10-32;1-31(2)15-16-4-3-5-17(12-16)27-18-6-7-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-8-10-34-11-9-32/h2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,31,33,35);2*1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34);3-4,9-13,31H,5-8,14H2,1-2H3,(H,33,37)(H,30,32,34);3-8,13-14,27H,9-12,15H2,1-2H3,(H,29,33)(H,26,28,30);3-7,12-14,27H,8-11,15H2,1-2H3,(H,29,33)(H,26,28,30)
InChIKeyIRZCNTASRINJBW-UHFFFAOYSA-N
XLogP21.68
TPSA696.21 Ų
H-Bond Donors21
H-Bond Acceptors54
Rotatable Bonds45
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003089.49
LogP ≤ 521.68
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide with MolForge

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Related Compounds

5-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945881
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 57945923
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
CID 58876710
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58876801
5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide
CID 58876818
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]-6-propan-2-ylpyridine-2-carbohydrazide
CID 58876860
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide
CID 58876900
4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
CID 58876918
4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-(2-methylpropyl)benzohydrazide
CID 58877004
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 58877005
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide
CID 58877078
6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58877082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (CID 158788511) is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is CN(C)Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ncc1Nc1ccc(-c2cccc(O)c2)c(Cl)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccc(O)c3)c(Cl)c2)cn1.
What is the InChIKey of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
The InChIKey is IRZCNTASRINJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN7O3.2C26H23ClFN7O3.C24H26F4N8O2.2C23H27FN8O2/c1-16-11-23(26(38)34-35-27-31-14-22(29)25(33-27)36-7-9-39-10-8-36)30-15-24(16)32-18-5-6-20(21(28)13-18)17-3-2-4-19(37)12-17;27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17;27-21-13-17(4-6-20(21)16-2-1-3-19(36)12-16)31-18-5-7-23(29-14-18)25(37)33-34-26-30-15-22(28)24(32-26)35-8-10-38-11-9-35;1-35(2)14-15-9-16(24(26,27)28)11-18(10-15)31-17-3-4-20(29-12-17)22(37)33-34-23-30-13-19(25)21(32-23)36-5-7-38-8-6-36;1-31(2)15-16-3-5-17(6-4-16)27-18-7-8-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-9-11-34-12-10-32;1-31(2)15-16-4-3-5-17(12-16)27-18-6-7-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-8-10-34-11-9-32/h2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,31,33,35);2*1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34);3-4,9-13,31H,5-8,14H2,1-2H3,(H,33,37)(H,30,32,34);3-8,13-14,27H,9-12,15H2,1-2H3,(H,29,33)(H,26,28,30);3-7,12-14,27H,8-11,15H2,1-2H3,(H,29,33)(H,26,28,30).
What are the key properties of 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide?
4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide has a molecular weight of 3089.49 g/mol, XLogP of 21.68, 45 rotatable bonds, 21 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 158788511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).