5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide

C112H104Cl3F7N26O12 — CID 162076487

IUPAC5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide
SMILESCCc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2cccc(O)c2)c1.Cc1cc(Nc2cc(-c3ccccc3O)cc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cc(Cl)cc(-c3ccccc3O)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2cccc(O)c2)c1
InChIInChI=1S/C29H26F4N6O3.C28H27ClFN7O3.C28H26ClFN6O3.C27H25ClFN7O3/c1-17-12-20(35-21-14-18(13-19(15-21)29(31,32)33)23-4-2-3-5-25(23)40)6-7-22(17)27(41)37-38-28-34-16-24(30)26(36-28)39-8-10-42-11-9-39;1-2-23-24(32-20-13-18(12-19(29)15-20)17-4-3-5-21(38)14-17)6-7-25(33-23)27(39)35-36-28-31-16-22(30)26(34-28)37-8-10-40-11-9-37;1-17-12-20(32-21-14-18(13-19(29)15-21)23-4-2-3-5-25(23)37)6-7-22(17)27(38)34-35-28-31-16-24(30)26(33-28)36-8-10-39-11-9-36;1-16-23(32-20-12-18(11-19(28)14-20)17-3-2-4-21(37)13-17)5-6-24(31-16)26(38)34-35-27-30-15-22(29)25(33-27)36-7-9-39-10-8-36/h2-7,12-16,35,40H,8-11H2,1H3,(H,37,41)(H,34,36,38);3-7,12-16,32,38H,2,8-11H2,1H3,(H,35,39)(H,31,34,36);2-7,12-16,32,37H,8-11H2,1H3,(H,34,38)(H,31,33,35);2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,30,33,35)
InChIKeyZBTRHCNBRIZLKH-UHFFFAOYSA-N
MW2245.58 g/mol
LogP20.56
Rot. Bonds29

About 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide

5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide (PubChem CID 162076487) has the molecular formula C112H104Cl3F7N26O12 and a molecular weight of 2245.58 g/mol. Its IUPAC name is 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide.

Molecular Properties

Compound Name5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide
PubChem CID162076487
Molecular FormulaC112H104Cl3F7N26O12
Molecular Weight2245.58 g/mol
Exact Mass2242.73
IUPAC Name5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide
SMILESCCc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2cccc(O)c2)c1.Cc1cc(Nc2cc(-c3ccccc3O)cc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cc(Cl)cc(-c3ccccc3O)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2cccc(O)c2)c1
InChIInChI=1S/C29H26F4N6O3.C28H27ClFN7O3.C28H26ClFN6O3.C27H25ClFN7O3/c1-17-12-20(35-21-14-18(13-19(15-21)29(31,32)33)23-4-2-3-5-25(23)40)6-7-22(17)27(41)37-38-28-34-16-24(30)26(36-28)39-8-10-42-11-9-39;1-2-23-24(32-20-13-18(12-19(29)15-20)17-4-3-5-21(38)14-17)6-7-25(33-23)27(39)35-36-28-31-16-22(30)26(34-28)37-8-10-40-11-9-37;1-17-12-20(32-21-14-18(13-19(29)15-21)23-4-2-3-5-25(23)37)6-7-22(17)27(38)34-35-28-31-16-24(30)26(33-28)36-8-10-39-11-9-36;1-16-23(32-20-12-18(11-19(28)14-20)17-3-2-4-21(37)13-17)5-6-24(31-16)26(38)34-35-27-30-15-22(29)25(33-27)36-7-9-39-10-8-36/h2-7,12-16,35,40H,8-11H2,1H3,(H,37,41)(H,34,36,38);3-7,12-16,32,38H,2,8-11H2,1H3,(H,35,39)(H,31,34,36);2-7,12-16,32,37H,8-11H2,1H3,(H,34,38)(H,31,33,35);2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,30,33,35)
InChIKeyZBTRHCNBRIZLKH-UHFFFAOYSA-N
XLogP20.56
TPSA472.34 Ų
H-Bond Donors16
H-Bond Acceptors34
Rotatable Bonds29
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002245.58
LogP ≤ 520.56
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide 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-[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
3-chloro-5-[[6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]carbamoyl]-3-pyridinyl]amino]-N-(3-hydroxyphenyl)benzamide
CID 58876845
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
6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 58877082
4-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide
CID 58877123

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide?
The IUPAC name of 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide (CID 162076487) is 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide.
What is the SMILES notation for 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide?
The canonical SMILES for 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide is CCc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2cccc(O)c2)c1.Cc1cc(Nc2cc(-c3ccccc3O)cc(C(F)(F)F)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cc(Cl)cc(-c3ccccc3O)c2)ccc1C(=O)NNc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cc(Cl)cc(-c2cccc(O)c2)c1.
What is the InChIKey of 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide?
The InChIKey is ZBTRHCNBRIZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4N6O3.C28H27ClFN7O3.C28H26ClFN6O3.C27H25ClFN7O3/c1-17-12-20(35-21-14-18(13-19(15-21)29(31,32)33)23-4-2-3-5-25(23)40)6-7-22(17)27(41)37-38-28-34-16-24(30)26(36-28)39-8-10-42-11-9-39;1-2-23-24(32-20-13-18(12-19(29)15-20)17-4-3-5-21(38)14-17)6-7-25(33-23)27(39)35-36-28-31-16-22(30)26(34-28)37-8-10-40-11-9-37;1-17-12-20(32-21-14-18(13-19(29)15-21)23-4-2-3-5-25(23)37)6-7-22(17)27(38)34-35-28-31-16-24(30)26(33-28)36-8-10-39-11-9-36;1-16-23(32-20-12-18(11-19(28)14-20)17-3-2-4-21(37)13-17)5-6-24(31-16)26(38)34-35-27-30-15-22(29)25(33-27)36-7-9-39-10-8-36/h2-7,12-16,35,40H,8-11H2,1H3,(H,37,41)(H,34,36,38);3-7,12-16,32,38H,2,8-11H2,1H3,(H,35,39)(H,31,34,36);2-7,12-16,32,37H,8-11H2,1H3,(H,34,38)(H,31,33,35);2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,30,33,35).
What are the key properties of 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide?
5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide has a molecular weight of 2245.58 g/mol, XLogP of 20.56, 29 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(3-hydroxyphenyl)anilino]-6-ethyl-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;4-[3-chloro-5-(2-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-methylbenzohydrazide;5-[3-chloro-5-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-6-methylpyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[3-(2-hydroxyphenyl)-5-(trifluoromethyl)anilino]-2-methylbenzohydrazide is sourced from PubChem (CID 162076487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).