tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine

C125H146BCl8F8N25O13 — CID 159106206

About tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine

tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine (PubChem CID 159106206) has the molecular formula C125H146BCl8F8N25O13 and a molecular weight of 2653.12 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine
• PubChem CID: 159106206
• Molecular Formula: C125H146BCl8F8N25O13
• Molecular Weight: 2653.12 g/mol
• Exact Mass: 2647.90
• IUPAC Name: tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine
• SMILES: C.C.C.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[C@@H]2C)c2cc(F)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[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.OB(O)c1ccccc1F
• InChI: InChI=1S/C29H31F2N5O.C23H27ClFN5O.C16H15Cl2FN4O2.C16H14ClFN4O2.C11H22N2O2.C9H14N2.C6H6BFO2.C6H3Cl2FN2O.C6H2Cl2FNO2.3CH4/c1-16(2)24-26(18(4)12-13-32-24)36-28-21(14-23(31)25(33-28)20-8-6-7-9-22(20)30)27(34-29(36)37)35-15-17(3)10-11-19(35)5;1-12(2)18-19(14(4)8-9-26-18)30-22-16(10-17(25)20(24)27-22)21(28-23(30)31)29-11-13(3)6-7-15(29)5;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)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)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;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;;;/h6-9,12-14,16-17,19H,10-11,15H2,1-5H3;8-10,12-13,15H,6-7,11H2,1-5H3;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;1H,(H2,10,12);1H,(H,11,12);3*1H4/t17-,19-;13-,15-;;;8-,9+;;;;;;;/m00..0......./s1
• InChIKey: KDXOWMOOWUZCMQ-BRGKVTAXSA-N
• XLogP: 27.18
• TPSA: 519.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.12
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	9
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 tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?

The IUPAC name of tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine (CID 159106206) is tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine.

What is the SMILES notation for tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?

The canonical SMILES for tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine is C.C.C.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[C@@H]2C)c2cc(F)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)CC[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.OB(O)c1ccccc1F.

What is the InChIKey of tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?

The InChIKey is KDXOWMOOWUZCMQ-BRGKVTAXSA-N. The full InChI is InChI=1S/C29H31F2N5O.C23H27ClFN5O.C16H15Cl2FN4O2.C16H14ClFN4O2.C11H22N2O2.C9H14N2.C6H6BFO2.C6H3Cl2FN2O.C6H2Cl2FNO2.3CH4/c1-16(2)24-26(18(4)12-13-32-24)36-28-21(14-23(31)25(33-28)20-8-6-7-9-22(20)30)27(34-29(36)37)35-15-17(3)10-11-19(35)5;1-12(2)18-19(14(4)8-9-26-18)30-22-16(10-17(25)20(24)27-22)21(28-23(30)31)29-11-13(3)6-7-15(29)5;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)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)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;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;;;/h6-9,12-14,16-17,19H,10-11,15H2,1-5H3;8-10,12-13,15H,6-7,11H2,1-5H3;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;1H,(H2,10,12);1H,(H,11,12);3*1H4/t17-,19-;13-,15-;;;8-,9+;;;;;;;/m00..0......./s1.

What are the key properties of tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?

tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine has a molecular weight of 2653.12 g/mol, XLogP of 27.18, 16 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;7-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;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;2,6-dichloro-5-fluoropyridine-3-carboxamide;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;(2-fluorophenyl)boronic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 159106206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).