sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide

C69H52Cl4F4N15NaO10 — CID 160662770

About sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide

sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide (PubChem CID 160662770) has the molecular formula C69H52Cl4F4N15NaO10 and a molecular weight of 1492.06 g/mol. Its IUPAC name is sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide
• PubChem CID: 160662770
• Molecular Formula: C69H52Cl4F4N15NaO10
• Molecular Weight: 1492.06 g/mol
• Exact Mass: 1489.26
• IUPAC Name: sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide
• SMILES: CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Cc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.[Na+].[OH-]
• InChI: InChI=1S/C20H16ClFN4O3.C18H13ClFN5O2.C18H12ClFN4O3.C13H10ClFN2O.Na.H2O/c1-2-29-20(27)13-8-23-6-5-16(13)24-19-14-9-28-10-17(14)25-18(26-19)12-7-11(21)3-4-15(12)22;19-9-1-2-13(20)10(5-9)17-24-15-8-27-7-12(15)18(25-17)23-14-3-4-22-6-11(14)16(21)26;19-9-1-2-13(20)10(5-9)16-23-15-8-27-7-12(15)17(24-16)22-14-3-4-21-6-11(14)18(25)26;1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15;;/h3-8H,2,9-10H2,1H3,(H,23,24,25,26);1-6H,7-8H2,(H2,21,26)(H,22,23,24,25);1-6H,7-8H2,(H,25,26)(H,21,22,23,24);2-4H,5-6H2,1H3;;1H2/q;;;;+1;/p-1
• InChIKey: RLWXICOVLLSDRT-UHFFFAOYSA-M
• XLogP: 11.39
• TPSA: 351.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.06
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

The IUPAC name of sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide (CID 160662770) is sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide.

What is the SMILES notation for sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

The canonical SMILES for sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide is CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Cc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.[Na+].[OH-].

What is the InChIKey of sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

The InChIKey is RLWXICOVLLSDRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16ClFN4O3.C18H13ClFN5O2.C18H12ClFN4O3.C13H10ClFN2O.Na.H2O/c1-2-29-20(27)13-8-23-6-5-16(13)24-19-14-9-28-10-17(14)25-18(26-19)12-7-11(21)3-4-15(12)22;19-9-1-2-13(20)10(5-9)17-24-15-8-27-7-12(15)18(25-17)23-14-3-4-22-6-11(14)16(21)26;19-9-1-2-13(20)10(5-9)16-23-15-8-27-7-12(15)17(24-16)22-14-3-4-21-6-11(14)18(25)26;1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15;;/h3-8H,2,9-10H2,1H3,(H,23,24,25,26);1-6H,7-8H2,(H2,21,26)(H,22,23,24,25);1-6H,7-8H2,(H,25,26)(H,21,22,23,24);2-4H,5-6H2,1H3;;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide has a molecular weight of 1492.06 g/mol, XLogP of 11.39, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 160662770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).