Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride

C₁₁₁H₁₁₇BCl₁₀F₁₀KN₂₅O₁₄ — CID 158916069

About Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride

Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride (PubChem CID 158916069) has the molecular formula C₁₁₁H₁₁₇BCl₁₀F₁₀KN₂₅O₁₄ and a molecular weight of 2619.74 g/mol. Its IUPAC name is potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride.

Molecular Properties

• Compound Name: Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride
• PubChem CID: 158916069
• Molecular Formula: C₁₁₁H₁₁₇BCl₁₀F₁₀KN₂₅O₁₄
• Molecular Weight: 2619.74 g/mol
• Exact Mass: 2613.57
• IUPAC Name: potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride
• SMILES: C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(Cl)nc1Cl.O=C(O)c1cc(F)c(Cl)nc1Cl.Oc1cccc(F)c1B(F)F.[F-].[K+]
• InChI: InChI=1S/C26H32ClFN6O3.C16H15Cl2FN4O2.C16H13Cl2FN4O.C16H14ClFN4O2.C10H20N2O2.C9H14N2.C6H4BF3O.C6H3Cl2FN2O.C6H2Cl2FNO2.FH.K/c1-14(2)19-20(15(3)8-9-29-19)34-23-17(12-18(28)21(27)30-23)22(31-24(34)35)33-11-10-32(13-16(33)4)25(36)37-26(5,6)7;1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17;1-7(2)11-12(8(3)4-5-20-11)23-15-9(13(17)22-16(23)24)6-10(19)14(18)21-15;1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-6(2)9-8(10)7(3)4-5-11-9;8-4-2-1-3-5(11)6(4)7(9)10;7-4-2(6(10)12)1-3(9)5(8)11-4;7-4-2(6(11)12)1-3(9)5(8)10-4;;/h8-9,12,14,16H,10-11,13H2,1-7H3;4-7H,1-3H3,(H2,21,23,24,25);4-7H,1-3H3;4-7H,1-3H3,(H,21,23,24);8,11H,5-7H2,1-4H3;4-6H,10H2,1-3H3;1-3,11H;1H,(H2,10,12);1H,(H,11,12);1H;/q;;;;;;;;;;+1/p-1/t16-;;;;8-;;;;;;/m0...0....../s1
• InChIKey: JZAWCNJVLLGNMW-JXVNJAKQSA-M
• XLogP: 18.25
• TPSA: 525.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2619.74
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride?

The IUPAC name of Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride (CID 158916069) is potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride.

What is the SMILES notation for Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride?

The canonical SMILES for Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride is C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.NC(=O)c1cc(F)c(Cl)nc1Cl.O=C(O)c1cc(F)c(Cl)nc1Cl.Oc1cccc(F)c1B(F)F.[F-].[K+].

What is the InChIKey of Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride?

The InChIKey is JZAWCNJVLLGNMW-JXVNJAKQSA-M. The full InChI is InChI=1S/C26H32ClFN6O3.C16H15Cl2FN4O2.C16H13Cl2FN4O.C16H14ClFN4O2.C10H20N2O2.C9H14N2.C6H4BF3O.C6H3Cl2FN2O.C6H2Cl2FNO2.FH.K/c1-14(2)19-20(15(3)8-9-29-19)34-23-17(12-18(28)21(27)30-23)22(31-24(34)35)33-11-10-32(13-16(33)4)25(36)37-26(5,6)7;1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17;1-7(2)11-12(8(3)4-5-20-11)23-15-9(13(17)22-16(23)24)6-10(19)14(18)21-15;1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-6(2)9-8(10)7(3)4-5-11-9;8-4-2-1-3-5(11)6(4)7(9)10;7-4-2(6(10)12)1-3(9)5(8)11-4;7-4-2(6(11)12)1-3(9)5(8)10-4;;/h8-9,12,14,16H,10-11,13H2,1-7H3;4-7H,1-3H3,(H2,21,23,24,25);4-7H,1-3H3;4-7H,1-3H3,(H,21,23,24);8,11H,5-7H2,1-4H3;4-6H,10H2,1-3H3;1-3,11H;1H,(H2,10,12);1H,(H,11,12);1H;/q;;;;;;;;;;+1/p-1/t16-;;;;8-;;;;;;/m0...0....../s1.

What are the key properties of Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride?

Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride has a molecular weight of 2619.74 g/mol, XLogP of 18.25, 14 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for Potassium;tert-butyl (3S)-4-[7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;4,7-dichloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;2-difluoroboranyl-3-fluorophenol;4-methyl-2-propan-2-ylpyridin-3-amine;fluoride is sourced from PubChem (CID 158916069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158916069 — identifiers, structure, computed properties (public domain)

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