N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide

C24H22FN9O2 — CID 58877249

About N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide (PubChem CID 58877249) has the molecular formula C24H22FN9O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide
• PubChem CID: 58877249
• Molecular Formula: C24H22FN9O2
• Molecular Weight: 487.50 g/mol
• Exact Mass: 487.19
• IUPAC Name: N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide
• SMILES: O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)cc2)cn1
• InChI: InChI=1S/C24H22FN9O2/c25-20-14-29-24(31-22(20)34-7-9-36-10-8-34)33-32-23(35)21-6-5-19(13-28-21)30-18-3-1-16(2-4-18)17-11-26-15-27-12-17/h1-6,11-15,30H,7-10H2,(H,32,35)(H,29,31,33)
• InChIKey: TZQVMSFJDXOQST-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 130.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.50
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide?

The IUPAC name of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide (CID 58877249) is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide.

What is the SMILES notation for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide?

The canonical SMILES for N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide is O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)cc2)cn1.

What is the InChIKey of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide?

The InChIKey is TZQVMSFJDXOQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN9O2/c25-20-14-29-24(31-22(20)34-7-9-36-10-8-34)33-32-23(35)21-6-5-19(13-28-21)30-18-3-1-16(2-4-18)17-11-26-15-27-12-17/h1-6,11-15,30H,7-10H2,(H,32,35)(H,29,31,33).

What are the key properties of N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide?

N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide has a molecular weight of 487.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 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-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 58877249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).