5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine

C54H53Cl2F2N15O2 — CID 172959526

About 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine

5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine (PubChem CID 172959526) has the molecular formula C54H53Cl2F2N15O2 and a molecular weight of 1053.02 g/mol. Its IUPAC name is 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine.

Molecular Properties

• Compound Name: 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
• PubChem CID: 172959526
• Molecular Formula: C54H53Cl2F2N15O2
• Molecular Weight: 1053.02 g/mol
• Exact Mass: 1051.39
• IUPAC Name: 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine
• SMILES: Cc1cccc(Cl)c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCNCC4)n3)nc2)cc1.Cc1cccc(Cl)c1-c1ccc(Nc2ccc(C=O)nc2)cc1.NNc1ncc(F)c(N2CCOCC2)n1
• InChI: InChI=1S/C27H26ClFN8.C19H15ClN2O.C8H12FN5O/c1-18-3-2-4-23(28)25(18)19-5-7-20(8-6-19)34-22-10-9-21(31-15-22)16-33-36-27-32-17-24(29)26(35-27)37-13-11-30-12-14-37;1-13-3-2-4-18(20)19(13)14-5-7-15(8-6-14)22-16-9-10-17(12-23)21-11-16;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h2-10,15-17,30,34H,11-14H2,1H3,(H,32,35,36);2-12,22H,1H3;5H,1-4,10H2,(H,11,12,13)/b33-16+
• InChIKey: WPKVUPJOCXYSEY-FQMWEKEMSA-N
• XLogP: 10.24
• TPSA: 208.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1053.02
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

The IUPAC name of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine (CID 172959526) is 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine.

What is the SMILES notation for 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

The canonical SMILES for 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine is Cc1cccc(Cl)c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCNCC4)n3)nc2)cc1.Cc1cccc(Cl)c1-c1ccc(Nc2ccc(C=O)nc2)cc1.NNc1ncc(F)c(N2CCOCC2)n1.

What is the InChIKey of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

The InChIKey is WPKVUPJOCXYSEY-FQMWEKEMSA-N. The full InChI is InChI=1S/C27H26ClFN8.C19H15ClN2O.C8H12FN5O/c1-18-3-2-4-23(28)25(18)19-5-7-20(8-6-19)34-22-10-9-21(31-15-22)16-33-36-27-32-17-24(29)26(35-27)37-13-11-30-12-14-37;1-13-3-2-4-18(20)19(13)14-5-7-15(8-6-14)22-16-9-10-17(12-23)21-11-16;9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h2-10,15-17,30,34H,11-14H2,1H3,(H,32,35,36);2-12,22H,1H3;5H,1-4,10H2,(H,11,12,13)/b33-16+;;.

What are the key properties of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine?

5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine has a molecular weight of 1053.02 g/mol, XLogP of 10.24, 13 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde;N-[(E)-[5-[4-(2-chloro-6-methylphenyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-piperazin-1-ylpyrimidin-2-amine;(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 172959526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).