5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate

C117H100Cl7F11N24O14 — CID 158585675

About 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate

5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 158585675) has the molecular formula C117H100Cl7F11N24O14 and a molecular weight of 2523.39 g/mol. Its IUPAC name is 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

• Compound Name: 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• PubChem CID: 158585675
• Molecular Formula: C117H100Cl7F11N24O14
• Molecular Weight: 2523.39 g/mol
• Exact Mass: 2518.55
• IUPAC Name: 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate
• SMILES: CCOC(=O)C[C@@H]1CCN(C(=O)c2cc3nc(-c4cc(F)c(Cl)c(F)c4)cc(N(C)c4c(C)cccc4F)n3n2)C[C@@H]1OC.CCOC(=O)c1cc2nc(-c3cc(F)c(Cl)c(F)c3)cc(N(C)c3c(C)cccc3F)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(C)cccc3F)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(C)cccc3F)n2n1.Cc1cccc(F)c1N(C)c1cc(-c2cc(F)c(Cl)c(F)c2)nc2cc(C(=O)O)nn12
• InChI: InChI=1S/C31H31ClF3N5O4.C23H18ClF3N4O2.C21H14ClF3N4O2.C17H16ClFN4O2.C16H14ClFN4O2.C9H7Cl2N3O2/c1-5-44-28(41)13-18-9-10-39(16-25(18)43-4)31(42)24-14-26-36-23(19-11-21(34)29(32)22(35)12-19)15-27(40(26)37-24)38(3)30-17(2)7-6-8-20(30)33;1-4-33-23(32)18-10-19-28-17(13-8-15(26)21(24)16(27)9-13)11-20(31(19)29-18)30(3)22-12(2)6-5-7-14(22)25;1-10-4-3-5-12(23)20(10)28(2)18-9-15(11-6-13(24)19(22)14(25)7-11)26-17-8-16(21(30)31)27-29(17)18;1-4-25-17(24)12-8-14-20-13(18)9-15(23(14)21-12)22(3)16-10(2)6-5-7-11(16)19;1-3-24-16(23)11-7-13-19-12(17)8-14(22(13)21-11)20-15-9(2)5-4-6-10(15)18;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h6-8,11-12,14-15,18,25H,5,9-10,13,16H2,1-4H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H,30,31);5-9H,4H2,1-3H3;4-8,20H,3H2,1-2H3;3-4H,2H2,1H3/t18-,25-;;;;;/m0...../s1
• InChIKey: HTUHMGJWXMSXDB-NGBPJQPHSA-N
• XLogP: 26.67
• TPSA: 404.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.39
LogP ≤ 5	26.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The IUPAC name of 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 158585675) is 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate.

What is the SMILES notation for 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The canonical SMILES for 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)C[C@@H]1CCN(C(=O)c2cc3nc(-c4cc(F)c(Cl)c(F)c4)cc(N(C)c4c(C)cccc4F)n3n2)C[C@@H]1OC.CCOC(=O)c1cc2nc(-c3cc(F)c(Cl)c(F)c3)cc(N(C)c3c(C)cccc3F)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(C)cccc3F)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Nc3c(C)cccc3F)n2n1.Cc1cccc(F)c1N(C)c1cc(-c2cc(F)c(Cl)c(F)c2)nc2cc(C(=O)O)nn12.

What is the InChIKey of 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

The InChIKey is HTUHMGJWXMSXDB-NGBPJQPHSA-N. The full InChI is InChI=1S/C31H31ClF3N5O4.C23H18ClF3N4O2.C21H14ClF3N4O2.C17H16ClFN4O2.C16H14ClFN4O2.C9H7Cl2N3O2/c1-5-44-28(41)13-18-9-10-39(16-25(18)43-4)31(42)24-14-26-36-23(19-11-21(34)29(32)22(35)12-19)15-27(40(26)37-24)38(3)30-17(2)7-6-8-20(30)33;1-4-33-23(32)18-10-19-28-17(13-8-15(26)21(24)16(27)9-13)11-20(31(19)29-18)30(3)22-12(2)6-5-7-14(22)25;1-10-4-3-5-12(23)20(10)28(2)18-9-15(11-6-13(24)19(22)14(25)7-11)26-17-8-16(21(30)31)27-29(17)18;1-4-25-17(24)12-8-14-20-13(18)9-15(23(14)21-12)22(3)16-10(2)6-5-7-11(16)19;1-3-24-16(23)11-7-13-19-12(17)8-14(22(13)21-11)20-15-9(2)5-4-6-10(15)18;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h6-8,11-12,14-15,18,25H,5,9-10,13,16H2,1-4H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H,30,31);5-9H,4H2,1-3H3;4-8,20H,3H2,1-2H3;3-4H,2H2,1H3/t18-,25-;;;;;/m0...../s1.

What are the key properties of 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate?

5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 2523.39 g/mol, XLogP of 26.67, 27 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethyl 2-[(3R,4S)-1-[5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3-methoxypiperidin-4-yl]acetate;ethyl 5-(4-chloro-3,5-difluorophenyl)-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-N,6-dimethylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5-chloro-7-(2-fluoro-6-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 158585675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).