2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid

C106H112BBrCl15F2N23O14 — CID 158336431

About 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid

2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid (PubChem CID 158336431) has the molecular formula C106H112BBrCl15F2N23O14 and a molecular weight of 2592.72 g/mol. Its IUPAC name is 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid
• PubChem CID: 158336431
• Molecular Formula: C106H112BBrCl15F2N23O14
• Molecular Weight: 2592.72 g/mol
• Exact Mass: 2583.33
• IUPAC Name: 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid
• SMILES: C.C.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.Cc1ccnc(Br)c1N.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=C(O)c1cc(Cl)c(Cl)nc1Cl.OB(O)c1ccccc1F
• InChI: InChI=1S/C22H18ClFN4O2.C16H15Cl3N4O2.C16H14Cl2N4O2.C11H22N2O2.C9H14N2.C6H6BFO2.C6H7BrN2.2C6H3Cl3N2O.C6H2Cl3NO2.2CH4/c1-11(2)17-19(12(3)8-9-25-17)28-20-14(21(29)27-22(28)30)10-15(23)18(26-20)13-6-4-5-7-16(13)24;1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(17)14(19)22-13(9)18;1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(17)13(18)20-14;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;1-6(2)9-8(10)7(3)4-5-11-9;8-6-4-2-1-3-5(6)7(9)10;1-4-2-3-9-6(7)5(4)8;2*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;;/h4-11H,1-3H3,(H,27,29,30);4-7H,1-3H3,(H2,21,23,24,25);4-7H,1-3H3,(H,21,23,24);8-9,12H,6-7H2,1-5H3;4-6H,10H2,1-3H3;1-4,9-10H;2-3H,8H2,1H3;2*1H,(H2,10,12);1H,(H,11,12);2*1H4/t;;;8-,9+;;;;;;;;/m...0......../s1
• InChIKey: GQQGNHFGMRCYHR-WOACHMNVSA-N
• XLogP: 25.63
• TPSA: 567.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2592.72
LogP ≤ 5	25.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

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 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid?

The IUPAC name of 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid (CID 158336431) is 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid.

What is the SMILES notation for 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid?

The canonical SMILES for 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid is C.C.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.Cc1ccnc(Br)c1N.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.O=C(O)c1cc(Cl)c(Cl)nc1Cl.OB(O)c1ccccc1F.

What is the InChIKey of 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid?

The InChIKey is GQQGNHFGMRCYHR-WOACHMNVSA-N. The full InChI is InChI=1S/C22H18ClFN4O2.C16H15Cl3N4O2.C16H14Cl2N4O2.C11H22N2O2.C9H14N2.C6H6BFO2.C6H7BrN2.2C6H3Cl3N2O.C6H2Cl3NO2.2CH4/c1-11(2)17-19(12(3)8-9-25-17)28-20-14(21(29)27-22(28)30)10-15(23)18(26-20)13-6-4-5-7-16(13)24;1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(17)14(19)22-13(9)18;1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(17)13(18)20-14;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;1-6(2)9-8(10)7(3)4-5-11-9;8-6-4-2-1-3-5(6)7(9)10;1-4-2-3-9-6(7)5(4)8;2*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;;/h4-11H,1-3H3,(H,27,29,30);4-7H,1-3H3,(H2,21,23,24,25);4-7H,1-3H3,(H,21,23,24);8-9,12H,6-7H2,1-5H3;4-6H,10H2,1-3H3;1-4,9-10H;2-3H,8H2,1H3;2*1H,(H2,10,12);1H,(H,11,12);2*1H4/t;;;8-,9+;;;;;;;;/m...0......../s1.

What are the key properties of 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid?

2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid has a molecular weight of 2592.72 g/mol, XLogP of 25.63, 13 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-methylpyridin-3-amine;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine;2,5,6-trichloro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxamide);2,5,6-trichloropyridine-3-carboxylic acid is sourced from PubChem (CID 158336431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).