5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C144H103F20N35 — CID 172938431

IUPAC5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1cc(/C=N/Nc2ncc(F)c(-c3cccc(-c4ccccc4)n3)n2)ncc1Nc1cccc(C(F)(F)F)c1.Cc1cc(/C=N/Nc2ncc(F)c(-c3cncc(-c4ccccc4)c3)n2)ncc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(-c2cccc(-c3ccccc3)n2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(-c2cncc(-c3ccccc3)c2)n1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc1-c1cncc(-c2ccccc2)c1
InChIInChI=1S/4C29H21F4N7.C28H19F4N7/c1-18-13-22(34-17-26(18)37-21-10-5-9-20(14-21)29(31,32)33)15-36-40-28-35-16-23(30)27(39-28)25-12-6-11-24(38-25)19-7-3-2-4-8-19;1-18-13-22(37-21-10-5-9-20(14-21)29(31,32)33)15-34-26(18)17-36-40-28-35-16-23(30)27(39-28)25-12-6-11-24(38-25)19-7-3-2-4-8-19;1-18-10-24(35-17-26(18)38-23-9-5-8-22(12-23)29(31,32)33)15-37-40-28-36-16-25(30)27(39-28)21-11-20(13-34-14-21)19-6-3-2-4-7-19;1-18-10-24(38-23-9-5-8-22(12-23)29(31,32)33)15-35-26(18)17-37-40-28-36-16-25(30)27(39-28)21-11-20(13-34-14-21)19-6-3-2-4-7-19;29-25-17-35-27(38-26(25)20-11-19(13-33-14-20)18-5-2-1-3-6-18)39-36-16-23-9-10-24(15-34-23)37-22-8-4-7-21(12-22)28(30,31)32/h2*2-17,37H,1H3,(H,35,39,40);2*2-17,38H,1H3,(H,36,39,40);1-17,37H,(H,35,38,39)/b36-15+;36-17+;37-15+;37-17+;36-16+
InChIKeyHYEMTIGZEUQXDC-OSSXJGPNSA-N
MW2703.61 g/mol
LogP35.97
Rot. Bonds35

About 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172938431) has the molecular formula C144H103F20N35 and a molecular weight of 2703.61 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172938431
Molecular FormulaC144H103F20N35
Molecular Weight2703.61 g/mol
Exact Mass2701.88
IUPAC Name5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCc1cc(/C=N/Nc2ncc(F)c(-c3cccc(-c4ccccc4)n3)n2)ncc1Nc1cccc(C(F)(F)F)c1.Cc1cc(/C=N/Nc2ncc(F)c(-c3cncc(-c4ccccc4)c3)n2)ncc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(-c2cccc(-c3ccccc3)n2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(-c2cncc(-c3ccccc3)c2)n1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc1-c1cncc(-c2ccccc2)c1
InChIInChI=1S/4C29H21F4N7.C28H19F4N7/c1-18-13-22(34-17-26(18)37-21-10-5-9-20(14-21)29(31,32)33)15-36-40-28-35-16-23(30)27(39-28)25-12-6-11-24(38-25)19-7-3-2-4-8-19;1-18-13-22(37-21-10-5-9-20(14-21)29(31,32)33)15-34-26(18)17-36-40-28-35-16-23(30)27(39-28)25-12-6-11-24(38-25)19-7-3-2-4-8-19;1-18-10-24(35-17-26(18)38-23-9-5-8-22(12-23)29(31,32)33)15-37-40-28-36-16-25(30)27(39-28)21-11-20(13-34-14-21)19-6-3-2-4-7-19;1-18-10-24(38-23-9-5-8-22(12-23)29(31,32)33)15-35-26(18)17-37-40-28-36-16-25(30)27(39-28)21-11-20(13-34-14-21)19-6-3-2-4-7-19;29-25-17-35-27(38-26(25)20-11-19(13-33-14-20)18-5-2-1-3-6-18)39-36-16-23-9-10-24(15-34-23)37-22-8-4-7-21(12-22)28(30,31)32/h2*2-17,37H,1H3,(H,35,39,40);2*2-17,38H,1H3,(H,36,39,40);1-17,37H,(H,35,38,39)/b36-15+;36-17+;37-15+;37-17+;36-16+
InChIKeyHYEMTIGZEUQXDC-OSSXJGPNSA-N
XLogP35.97
TPSA439.90 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002703.61
LogP ≤ 535.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876733
4-(5-benzyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-ethyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-propan-2-yl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172984624
3-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]benzamide
CID 58877037
6-[[[5-fluoro-4-(6-phenyl-2-pyridinyl)pyrimidin-2-yl]diazenyl]methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 90944429
ethane;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 143431222
4-(5-benzyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[5-(cyclopropylmethyl)-3-pyridinyl]-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-cyclopropyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-ethyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-propan-2-yl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172969990
4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
CID 172971964
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
CID 172960530
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 58877264
4-methyl-6-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(triiodomethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172940649
4-methyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine
CID 143430854
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172938431) is 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Cc1cc(/C=N/Nc2ncc(F)c(-c3cccc(-c4ccccc4)n3)n2)ncc1Nc1cccc(C(F)(F)F)c1.Cc1cc(/C=N/Nc2ncc(F)c(-c3cncc(-c4ccccc4)c3)n2)ncc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(-c2cccc(-c3ccccc3)n2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(-c2cncc(-c3ccccc3)c2)n1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc1-c1cncc(-c2ccccc2)c1.
What is the InChIKey of 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is HYEMTIGZEUQXDC-OSSXJGPNSA-N. The full InChI is InChI=1S/4C29H21F4N7.C28H19F4N7/c1-18-13-22(34-17-26(18)37-21-10-5-9-20(14-21)29(31,32)33)15-36-40-28-35-16-23(30)27(39-28)25-12-6-11-24(38-25)19-7-3-2-4-8-19;1-18-13-22(37-21-10-5-9-20(14-21)29(31,32)33)15-34-26(18)17-36-40-28-35-16-23(30)27(39-28)25-12-6-11-24(38-25)19-7-3-2-4-8-19;1-18-10-24(35-17-26(18)38-23-9-5-8-22(12-23)29(31,32)33)15-37-40-28-36-16-25(30)27(39-28)21-11-20(13-34-14-21)19-6-3-2-4-7-19;1-18-10-24(38-23-9-5-8-22(12-23)29(31,32)33)15-35-26(18)17-37-40-28-36-16-25(30)27(39-28)21-11-20(13-34-14-21)19-6-3-2-4-7-19;29-25-17-35-27(38-26(25)20-11-19(13-33-14-20)18-5-2-1-3-6-18)39-36-16-23-9-10-24(15-34-23)37-22-8-4-7-21(12-22)28(30,31)32/h2*2-17,37H,1H3,(H,35,39,40);2*2-17,38H,1H3,(H,36,39,40);1-17,37H,(H,35,38,39)/b36-15+;36-17+;37-15+;37-17+;36-16+.
What are the key properties of 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2703.61 g/mol, XLogP of 35.97, 35 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-phenyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-N-[(E)-[4-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(6-phenyl-2-pyridinyl)pyrimidin-2-amine;5-fluoro-4-(5-phenyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172938431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).