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-iodo-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;methane;hydroxide

C70H57Cl4F4IN15NaO10 — CID 160972178

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-iodo-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;methane;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-iodo-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;methane;hydroxide (PubChem CID 160972178) has the molecular formula C70H57Cl4F4IN15NaO10 and a molecular weight of 1636.02 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-iodo-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;methane;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-iodo-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;methane;hydroxide
• PubChem CID: 160972178
• Molecular Formula: C70H57Cl4F4IN15NaO10
• Molecular Weight: 1636.02 g/mol
• Exact Mass: 1633.20
• 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-iodo-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;methane;hydroxide
• SMILES: C.C.CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Fc1ccc(Cl)cc1-c1nc(I)c2c(n1)COC2.NC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.O=C(O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.[Na+].[OH-]
• InChI: InChI=1S/C20H16ClFN4O3.C18H13ClFN5O2.C18H12ClFN4O3.C12H7ClFIN2O.2CH4.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;13-6-1-2-9(14)7(3-6)12-16-10-5-18-4-8(10)11(15)17-12;;;;/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);1-3H,4-5H2;2*1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: SYKCBIACLIQTAH-UHFFFAOYSA-M
• XLogP: 12.96
• TPSA: 351.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.02
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

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-iodo-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;methane;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-iodo-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;methane;hydroxide (CID 160972178) 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-iodo-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;methane;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-iodo-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;methane;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-iodo-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;methane;hydroxide is C.C.CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Fc1ccc(Cl)cc1-c1nc(I)c2c(n1)COC2.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-iodo-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;methane;hydroxide?

The InChIKey is SYKCBIACLIQTAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16ClFN4O3.C18H13ClFN5O2.C18H12ClFN4O3.C12H7ClFIN2O.2CH4.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;13-6-1-2-9(14)7(3-6)12-16-10-5-18-4-8(10)11(15)17-12;;;;/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);1-3H,4-5H2;2*1H4;;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-iodo-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;methane;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-iodo-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;methane;hydroxide has a molecular weight of 1636.02 g/mol, XLogP of 12.96, 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-iodo-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;methane;hydroxide is sourced from PubChem (CID 160972178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).