sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide

C85H75Cl4F4IN21NaO11 — CID 159707454

About sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide

sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide (PubChem CID 159707454) has the molecular formula C85H75Cl4F4IN21NaO11 and a molecular weight of 1935.38 g/mol. Its IUPAC name is sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide
• PubChem CID: 159707454
• Molecular Formula: C85H75Cl4F4IN21NaO11
• Molecular Weight: 1935.38 g/mol
• Exact Mass: 1932.37
• IUPAC Name: sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide
• SMILES: C.CC1=CCc2nc(-c3cc(Cl)ccc3F)nc(C)c21.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2onc(C)c12.Cc1noc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)NC3CC3)c12.Cc1noc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)O)c12.NC1CC1.[2H]CI.[Na+].[OH-]
• InChI: InChI=1S/C21H16ClFN6O2.C19H13ClFN5O3.C18H11ClFN5O3.C15H12ClFN2.C7H8N2O2.C3H7N.CH3I.CH4.Na.H2O/c1-10-17-19(26-16-6-7-24-9-14(16)20(30)25-12-3-4-12)27-18(28-21(17)31-29-10)13-8-11(22)2-5-15(13)23;1-9-15-17(23-14-5-6-22-8-12(14)19(27)28-2)24-16(25-18(15)29-26-9)11-7-10(20)3-4-13(11)21;1-8-14-16(22-13-4-5-21-7-11(13)18(26)27)23-15(24-17(14)28-25-8)10-6-9(19)2-3-12(10)20;1-8-3-6-13-14(8)9(2)18-15(19-13)11-7-10(16)4-5-12(11)17;1-11-7(10)5-4-9-3-2-6(5)8;4-3-1-2-3;1-2;;;/h2,5-9,12H,3-4H2,1H3,(H,25,30)(H,24,26,27,28);3-8H,1-2H3,(H,22,23,24,25);2-7H,1H3,(H,26,27)(H,21,22,23,24);3-5,7H,6H2,1-2H3;2-4H,1H3,(H2,8,9);3H,1-2,4H2;1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D
• InChIKey: MYKAWIHSBQWMMO-WPEJIVRLSA-M
• XLogP: 16.23
• TPSA: 469.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.38
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

The IUPAC name of sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide (CID 159707454) is sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide.

What is the SMILES notation for sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

The canonical SMILES for sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide is C.CC1=CCc2nc(-c3cc(Cl)ccc3F)nc(C)c21.COC(=O)c1cnccc1N.COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2onc(C)c12.Cc1noc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)NC3CC3)c12.Cc1noc2nc(-c3cc(Cl)ccc3F)nc(Nc3ccncc3C(=O)O)c12.NC1CC1.[2H]CI.[Na+].[OH-].

What is the InChIKey of sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

The InChIKey is MYKAWIHSBQWMMO-WPEJIVRLSA-M. The full InChI is InChI=1S/C21H16ClFN6O2.C19H13ClFN5O3.C18H11ClFN5O3.C15H12ClFN2.C7H8N2O2.C3H7N.CH3I.CH4.Na.H2O/c1-10-17-19(26-16-6-7-24-9-14(16)20(30)25-12-3-4-12)27-18(28-21(17)31-29-10)13-8-11(22)2-5-15(13)23;1-9-15-17(23-14-5-6-22-8-12(14)19(27)28-2)24-16(25-18(15)29-26-9)11-7-10(20)3-4-13(11)21;1-8-14-16(22-13-4-5-21-7-11(13)18(26)27)23-15(24-17(14)28-25-8)10-6-9(19)2-3-12(10)20;1-8-3-6-13-14(8)9(2)18-15(19-13)11-7-10(16)4-5-12(11)17;1-11-7(10)5-4-9-3-2-6(5)8;4-3-1-2-3;1-2;;;/h2,5-9,12H,3-4H2,1H3,(H,25,30)(H,24,26,27,28);3-8H,1-2H3,(H,22,23,24,25);2-7H,1H3,(H,26,27)(H,21,22,23,24);3-5,7H,6H2,1-2H3;2-4H,1H3,(H2,8,9);3H,1-2,4H2;1H3;1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;;1D;;;.

What are the key properties of sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide?

sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide has a molecular weight of 1935.38 g/mol, XLogP of 16.23, 15 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-(5-chloro-2-fluorophenyl)-4,5-dimethyl-7H-cyclopenta[d]pyrimidine;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(iodo)methane;methane;methyl 4-aminopyridine-3-carboxylate;methyl 4-[[6-(5-chloro-2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 159707454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).