5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol

C135H127Cl3F5N35O10 — CID 172987654

IUPAC5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
SMILESCc1cc(Cl)cc(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccc(O)c1.Oc1cc(O)cc(Cc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)c1.Oc1cccc(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)c1
InChIInChI=1S/C28H27ClFN7O.C27H25ClFN7O3.2C27H26FN7O2.C26H23ClFN7O2/c1-19-12-21(15-22(29)13-19)14-20-2-4-23(5-3-20)34-25-7-6-24(31-16-25)17-33-36-28-32-18-26(30)27(35-28)37-8-10-38-11-9-37;28-19-8-17(7-18-10-23(37)13-24(38)11-18)9-22(12-19)33-21-2-1-20(30-14-21)15-32-35-27-31-16-25(29)26(34-27)36-3-5-39-6-4-36;1-18-13-20(7-8-24(18)19-3-2-4-23(36)14-19)32-22-6-5-21(29-15-22)16-31-34-27-30-17-25(28)26(33-27)35-9-11-37-12-10-35;28-25-18-30-27(33-26(25)35-10-12-37-13-11-35)34-31-17-22-8-9-23(16-29-22)32-21-6-4-19(5-7-21)14-20-2-1-3-24(36)15-20;27-23-13-18(6-7-22(23)17-2-1-3-21(36)12-17)32-20-5-4-19(29-14-20)15-31-34-26-30-16-24(28)25(33-26)35-8-10-37-11-9-35/h2-7,12-13,15-18,34H,8-11,14H2,1H3,(H,32,35,36);1-2,8-16,33,37-38H,3-7H2,(H,31,34,35);2-8,13-17,32,36H,9-12H2,1H3,(H,30,33,34);1-9,15-18,32,36H,10-14H2,(H,30,33,34);1-7,12-16,32,36H,8-11H2,(H,30,33,34)/b33-17+;32-15+;31-16+;31-17+;31-15+
InChIKeyNJOJTUHVQUKBTQ-LFNFMLKHSA-N
MW2601.08 g/mol
LogP24.40
Rot. Bonds38

About 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol

5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol (PubChem CID 172987654) has the molecular formula C135H127Cl3F5N35O10 and a molecular weight of 2601.08 g/mol. Its IUPAC name is 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol.

Molecular Properties

Compound Name5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
PubChem CID172987654
Molecular FormulaC135H127Cl3F5N35O10
Molecular Weight2601.08 g/mol
Exact Mass2597.95
IUPAC Name5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
SMILESCc1cc(Cl)cc(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccc(O)c1.Oc1cc(O)cc(Cc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)c1.Oc1cccc(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)c1
InChIInChI=1S/C28H27ClFN7O.C27H25ClFN7O3.2C27H26FN7O2.C26H23ClFN7O2/c1-19-12-21(15-22(29)13-19)14-20-2-4-23(5-3-20)34-25-7-6-24(31-16-25)17-33-36-28-32-18-26(30)27(35-28)37-8-10-38-11-9-37;28-19-8-17(7-18-10-23(37)13-24(38)11-18)9-22(12-19)33-21-2-1-20(30-14-21)15-32-35-27-31-16-25(29)26(34-27)36-3-5-39-6-4-36;1-18-13-20(7-8-24(18)19-3-2-4-23(36)14-19)32-22-6-5-21(29-15-22)16-31-34-27-30-17-25(28)26(33-27)35-9-11-37-12-10-35;28-25-18-30-27(33-26(25)35-10-12-37-13-11-35)34-31-17-22-8-9-23(16-29-22)32-21-6-4-19(5-7-21)14-20-2-1-3-24(36)15-20;27-23-13-18(6-7-22(23)17-2-1-3-21(36)12-17)32-20-5-4-19(29-14-20)15-31-34-26-30-16-24(28)25(33-26)35-8-10-37-11-9-35/h2-7,12-13,15-18,34H,8-11,14H2,1H3,(H,32,35,36);1-2,8-16,33,37-38H,3-7H2,(H,31,34,35);2-8,13-17,32,36H,9-12H2,1H3,(H,30,33,34);1-9,15-18,32,36H,10-14H2,(H,30,33,34);1-7,12-16,32,36H,8-11H2,(H,30,33,34)/b33-17+;32-15+;31-16+;31-17+;31-15+
InChIKeyNJOJTUHVQUKBTQ-LFNFMLKHSA-N
XLogP24.40
TPSA538.95 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds38
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002601.08
LogP ≤ 524.40
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-methyl-3-pyridinyl]amino]phenyl]phenol
CID 58877230
3-N-(3-chloro-5-methylphenyl)-1-N-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]benzene-1,3-diamine
CID 143430933
3-[[3-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol
CID 70951263
3-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol;N-[(E)-[5-[3-chloro-4-(furan-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-4-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-(trifluoromethyl)phenyl]methyl]phenol
CID 172985388
N-[(E)-[5-(3-chloro-5-ethylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-methylbenzene-1,3-diol
CID 143471107
3-[[4-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]methyl]phenol
CID 70951265
N-[(E)-[5-[3-[(3-chlorophenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 172933018
2-(3-chloro-5-methylphenyl)-1-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-5-hydroxyphenyl]ethanone
CID 172917148
1-[2-chloro-4-[[6-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]-2-(3-hydroxyphenyl)ethanone
CID 90886632
3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]sulfonylphenol
CID 89112947
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-[(3,5-dihydroxyphenyl)methyl]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
CID 162206511
5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide
CID 158275388

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol?
The IUPAC name of 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol (CID 172987654) is 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol.
What is the SMILES notation for 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol?
The canonical SMILES for 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol is Cc1cc(Cl)cc(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1-c1cccc(O)c1.Oc1cc(O)cc(Cc2cc(Cl)cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1cccc(-c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)c1.Oc1cccc(Cc2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2)c1.
What is the InChIKey of 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol?
The InChIKey is NJOJTUHVQUKBTQ-LFNFMLKHSA-N. The full InChI is InChI=1S/C28H27ClFN7O.C27H25ClFN7O3.2C27H26FN7O2.C26H23ClFN7O2/c1-19-12-21(15-22(29)13-19)14-20-2-4-23(5-3-20)34-25-7-6-24(31-16-25)17-33-36-28-32-18-26(30)27(35-28)37-8-10-38-11-9-37;28-19-8-17(7-18-10-23(37)13-24(38)11-18)9-22(12-19)33-21-2-1-20(30-14-21)15-32-35-27-31-16-25(29)26(34-27)36-3-5-39-6-4-36;1-18-13-20(7-8-24(18)19-3-2-4-23(36)14-19)32-22-6-5-21(29-15-22)16-31-34-27-30-17-25(28)26(33-27)35-9-11-37-12-10-35;28-25-18-30-27(33-26(25)35-10-12-37-13-11-35)34-31-17-22-8-9-23(16-29-22)32-21-6-4-19(5-7-21)14-20-2-1-3-24(36)15-20;27-23-13-18(6-7-22(23)17-2-1-3-21(36)12-17)32-20-5-4-19(29-14-20)15-31-34-26-30-16-24(28)25(33-26)35-8-10-37-11-9-35/h2-7,12-13,15-18,34H,8-11,14H2,1H3,(H,32,35,36);1-2,8-16,33,37-38H,3-7H2,(H,31,34,35);2-8,13-17,32,36H,9-12H2,1H3,(H,30,33,34);1-9,15-18,32,36H,10-14H2,(H,30,33,34);1-7,12-16,32,36H,8-11H2,(H,30,33,34)/b33-17+;32-15+;31-16+;31-17+;31-15+.
What are the key properties of 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol?
5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol has a molecular weight of 2601.08 g/mol, XLogP of 24.40, 38 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]benzene-1,3-diol;3-[2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-[4-[(3-chloro-5-methylphenyl)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]phenol;3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]methyl]phenol is sourced from PubChem (CID 172987654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).