potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride

C99H108BCl13F4KN17O13 — CID 157106898

About potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride

potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride (PubChem CID 157106898) has the molecular formula C99H108BCl13F4KN17O13 and a molecular weight of 2330.85 g/mol. Its IUPAC name is potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride.

Molecular Properties

• Compound Name: potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride
• PubChem CID: 157106898
• Molecular Formula: C99H108BCl13F4KN17O13
• Molecular Weight: 2330.85 g/mol
• Exact Mass: 2323.39
• IUPAC Name: potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride
• SMILES: C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1cccc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.Cc1cccc(C(C)C)c1N.Cc1cccc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=C(O)c1cc(Cl)c(Cl)nc1Cl.Oc1cccc(F)c1B(F)F.[F-].[K+]
• InChI: InChI=1S/C27H33Cl2N5O3.C17H16Cl3N3O2.C17H15Cl2N3O2.C10H20N2O2.C10H15N.C6H4BF3O.C6H3Cl3N2O.C6H2Cl3NO2.FH.K/c1-15(2)18-10-8-9-16(3)21(18)34-24-19(13-20(28)22(29)30-24)23(31-25(34)35)33-12-11-32(14-17(33)4)26(36)37-27(5,6)7;1-8(2)10-6-4-5-9(3)13(10)21-17(25)23-16(24)11-7-12(18)15(20)22-14(11)19;1-8(2)10-6-4-5-9(3)13(10)22-15-11(16(23)21-17(22)24)7-12(18)14(19)20-15;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-7(2)9-6-4-5-8(3)10(9)11;8-4-2-1-3-5(11)6(4)7(9)10;7-3-1-2(6(10)12)4(8)11-5(3)9;7-3-1-2(6(11)12)4(8)10-5(3)9;;/h8-10,13,15,17H,11-12,14H2,1-7H3;4-8H,1-3H3,(H2,21,23,24,25);4-8H,1-3H3,(H,21,23,24);8,11H,5-7H2,1-4H3;4-7H,11H2,1-3H3;1-3,11H;1H,(H2,10,12);1H,(H,11,12);1H;/q;;;;;;;;;+1/p-1/t17-;;;8-;;;;;;/m0..0....../s1
• InChIKey: YNQYDWXRMBVCSY-NICRVYBWSA-M
• XLogP: 19.18
• TPSA: 413.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.85
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?

The IUPAC name of potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride (CID 157106898) is potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride.

What is the SMILES notation for potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?

The canonical SMILES for potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride is C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1cccc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.Cc1cccc(C(C)C)c1N.Cc1cccc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=C(O)c1cc(Cl)c(Cl)nc1Cl.Oc1cccc(F)c1B(F)F.[F-].[K+].

What is the InChIKey of potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?

The InChIKey is YNQYDWXRMBVCSY-NICRVYBWSA-M. The full InChI is InChI=1S/C27H33Cl2N5O3.C17H16Cl3N3O2.C17H15Cl2N3O2.C10H20N2O2.C10H15N.C6H4BF3O.C6H3Cl3N2O.C6H2Cl3NO2.FH.K/c1-15(2)18-10-8-9-16(3)21(18)34-24-19(13-20(28)22(29)30-24)23(31-25(34)35)33-12-11-32(14-17(33)4)26(36)37-27(5,6)7;1-8(2)10-6-4-5-9(3)13(10)21-17(25)23-16(24)11-7-12(18)15(20)22-14(11)19;1-8(2)10-6-4-5-9(3)13(10)22-15-11(16(23)21-17(22)24)7-12(18)14(19)20-15;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;1-7(2)9-6-4-5-8(3)10(9)11;8-4-2-1-3-5(11)6(4)7(9)10;7-3-1-2(6(10)12)4(8)11-5(3)9;7-3-1-2(6(11)12)4(8)10-5(3)9;;/h8-10,13,15,17H,11-12,14H2,1-7H3;4-8H,1-3H3,(H2,21,23,24,25);4-8H,1-3H3,(H,21,23,24);8,11H,5-7H2,1-4H3;4-7H,11H2,1-3H3;1-3,11H;1H,(H2,10,12);1H,(H,11,12);1H;/q;;;;;;;;;+1/p-1/t17-;;;8-;;;;;;/m0..0....../s1.

What are the key properties of potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride?

potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride has a molecular weight of 2330.85 g/mol, XLogP of 19.18, 12 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride is sourced from PubChem (CID 157106898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).