4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

C23H21ClFN7O2 — CID 11856225

About 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide

4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 11856225) has the molecular formula C23H21ClFN7O2 and a molecular weight of 481.92 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• PubChem CID: 11856225
• Molecular Formula: C23H21ClFN7O2
• Molecular Weight: 481.92 g/mol
• Exact Mass: 481.14
• IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(NCCOC)ccc12
• InChI: InChI=1S/C23H21ClFN7O2/c1-26-23(33)16-12-27-8-7-18(16)29-20-14-4-6-19(28-9-10-34-2)30-21(14)32-22(31-20)15-11-13(24)3-5-17(15)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H2,27,28,29,30,31,32)
• InChIKey: UJCFTDYWBBIQSV-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 113.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.92
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 11856225) is 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(NCCOC)ccc12.

What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

The InChIKey is UJCFTDYWBBIQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN7O2/c1-26-23(33)16-12-27-8-7-18(16)29-20-14-4-6-19(28-9-10-34-2)30-21(14)32-22(31-20)15-11-13(24)3-5-17(15)25/h3-8,11-12H,9-10H2,1-2H3,(H,26,33)(H2,27,28,29,30,31,32).

What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?

4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 481.92 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5-chloro-2-fluorophenyl)-7-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 11856225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).