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;4-methyl-2-propan-2-ylpyridin-3-amine

C79H81Cl9F5N19O10 — CID 157237141

About 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;4-methyl-2-propan-2-ylpyridin-3-amine

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;4-methyl-2-propan-2-ylpyridin-3-amine (PubChem CID 157237141) has the molecular formula C79H81Cl9F5N19O10 and a molecular weight of 1870.71 g/mol. Its IUPAC name is 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;4-methyl-2-propan-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 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;4-methyl-2-propan-2-ylpyridin-3-amine
• PubChem CID: 157237141
• Molecular Formula: C79H81Cl9F5N19O10
• Molecular Weight: 1870.71 g/mol
• Exact Mass: 1865.35
• IUPAC Name: 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;4-methyl-2-propan-2-ylpyridin-3-amine
• 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)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
• InChI: InChI=1S/C16H15Cl2FN4O2.C16H13Cl2FN4O.C16H14ClFN4O2.C10H20N2O2.C9H14N2.C6H3Cl2FN2O.C6H2Cl2FNO2/c1-7(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;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/h4-7H,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;1H,(H2,10,12);1H,(H,11,12)/t;;;8-;;;/m...0.../s1
• InChIKey: AUTPPVVGTBXHSE-UQBLWKCASA-N
• XLogP: 18.23
• TPSA: 411.94 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1870.71
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;4-methyl-2-propan-2-ylpyridin-3-amine?

The IUPAC name of 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;4-methyl-2-propan-2-ylpyridin-3-amine (CID 157237141) is 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;4-methyl-2-propan-2-ylpyridin-3-amine.

What is the SMILES notation for 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;4-methyl-2-propan-2-ylpyridin-3-amine?

The canonical SMILES for 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;4-methyl-2-propan-2-ylpyridin-3-amine 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)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.

What is the InChIKey of 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;4-methyl-2-propan-2-ylpyridin-3-amine?

The InChIKey is AUTPPVVGTBXHSE-UQBLWKCASA-N. The full InChI is InChI=1S/C16H15Cl2FN4O2.C16H13Cl2FN4O.C16H14ClFN4O2.C10H20N2O2.C9H14N2.C6H3Cl2FN2O.C6H2Cl2FNO2/c1-7(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;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/h4-7H,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;1H,(H2,10,12);1H,(H,11,12)/t;;;8-;;;/m...0.../s1.

What are the key properties of 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;4-methyl-2-propan-2-ylpyridin-3-amine?

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;4-methyl-2-propan-2-ylpyridin-3-amine has a molecular weight of 1870.71 g/mol, XLogP of 18.23, 10 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4-methyl-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 157237141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).