N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide

C25H28FN9O2 — CID 143727603

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide (PubChem CID 143727603) has the molecular formula C25H28FN9O2 and a molecular weight of 505.56 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide
• PubChem CID: 143727603
• Molecular Formula: C25H28FN9O2
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.23
• IUPAC Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide
• SMILES: CN1NCC=CC1c1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1
• InChI: InChI=1S/C25H28FN9O2/c1-34-22(3-2-10-29-34)17-4-6-18(7-5-17)30-19-8-9-21(27-15-19)24(36)32-33-25-28-16-20(26)23(31-25)35-11-13-37-14-12-35/h2-9,15-16,22,29-30H,10-14H2,1H3,(H,32,36)(H,28,31,33)
• InChIKey: UICFPLUJKVOKSU-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 119.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide?

The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide (CID 143727603) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide.

What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide?

The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide is CN1NCC=CC1c1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.

What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide?

The InChIKey is UICFPLUJKVOKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN9O2/c1-34-22(3-2-10-29-34)17-4-6-18(7-5-17)30-19-8-9-21(27-15-19)24(36)32-33-25-28-16-20(26)23(31-25)35-11-13-37-14-12-35/h2-9,15-16,22,29-30H,10-14H2,1H3,(H,32,36)(H,28,31,33).

What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide?

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide has a molecular weight of 505.56 g/mol, XLogP of 2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(2-methyl-3,6-dihydro-1H-pyridazin-3-yl)anilino]pyridine-2-carbohydrazide is sourced from PubChem (CID 143727603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).