ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate

C97H80Cl3F13N20O15 — CID 158192815

About ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate

ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate (PubChem CID 158192815) has the molecular formula C97H80Cl3F13N20O15 and a molecular weight of 2119.16 g/mol. Its IUPAC name is ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate.

Molecular Properties

• Compound Name: ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate
• PubChem CID: 158192815
• Molecular Formula: C97H80Cl3F13N20O15
• Molecular Weight: 2119.16 g/mol
• Exact Mass: 2116.50
• IUPAC Name: ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate
• SMILES: CCOC(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(F)cccc3OC)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(F)cccc3OC)n2n1.COC(=O)C[C@@H](C)N(C)C(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(F)cccc3OC)n2n1.COc1cccc(F)c1N(C)c1cc(-c2cc(F)c(F)c(F)c2)nc2cc(C(=O)O)nn12
• InChI: InChI=1S/C27H25F4N5O4.C23H18F4N4O3.C21H14F4N4O3.C17H16ClFN4O3.C9H7Cl2N3O2/c1-14(9-24(37)40-5)34(2)27(38)20-12-22-32-19(15-10-17(29)25(31)18(30)11-15)13-23(36(22)33-20)35(3)26-16(28)7-6-8-21(26)39-4;1-4-34-23(32)17-10-19-28-16(12-8-14(25)21(27)15(26)9-12)11-20(31(19)29-17)30(2)22-13(24)6-5-7-18(22)33-3;1-28(20-11(22)4-3-5-16(20)32-2)18-9-14(10-6-12(23)19(25)13(24)7-10)26-17-8-15(21(30)31)27-29(17)18;1-4-26-17(24)11-8-14-20-13(18)9-15(23(14)21-11)22(2)16-10(19)6-5-7-12(16)25-3;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h6-8,10-14H,9H2,1-5H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H,30,31);5-9H,4H2,1-3H3;3-4H,2H2,1H3/t14-;;;;/m1..../s1
• InChIKey: FZYYCPDKQWVIGJ-WGVOJFRMSA-N
• XLogP: 19.77
• TPSA: 363.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2119.16
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

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 ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate?

The IUPAC name of ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate (CID 158192815) is ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate.

What is the SMILES notation for ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate?

The canonical SMILES for ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate is CCOC(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(F)cccc3OC)n2n1.CCOC(=O)c1cc2nc(Cl)cc(Cl)n2n1.CCOC(=O)c1cc2nc(Cl)cc(N(C)c3c(F)cccc3OC)n2n1.COC(=O)C[C@@H](C)N(C)C(=O)c1cc2nc(-c3cc(F)c(F)c(F)c3)cc(N(C)c3c(F)cccc3OC)n2n1.COc1cccc(F)c1N(C)c1cc(-c2cc(F)c(F)c(F)c2)nc2cc(C(=O)O)nn12.

What is the InChIKey of ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate?

The InChIKey is FZYYCPDKQWVIGJ-WGVOJFRMSA-N. The full InChI is InChI=1S/C27H25F4N5O4.C23H18F4N4O3.C21H14F4N4O3.C17H16ClFN4O3.C9H7Cl2N3O2/c1-14(9-24(37)40-5)34(2)27(38)20-12-22-32-19(15-10-17(29)25(31)18(30)11-15)13-23(36(22)33-20)35(3)26-16(28)7-6-8-21(26)39-4;1-4-34-23(32)17-10-19-28-16(12-8-14(25)21(27)15(26)9-12)11-20(31(19)29-17)30(2)22-13(24)6-5-7-18(22)33-3;1-28(20-11(22)4-3-5-16(20)32-2)18-9-14(10-6-12(23)19(25)13(24)7-10)26-17-8-15(21(30)31)27-29(17)18;1-4-26-17(24)11-8-14-20-13(18)9-15(23(14)21-11)22(2)16-10(19)6-5-7-12(16)25-3;1-2-16-9(15)5-3-8-12-6(10)4-7(11)14(8)13-5/h6-8,10-14H,9H2,1-5H3;5-11H,4H2,1-3H3;3-9H,1-2H3,(H,30,31);5-9H,4H2,1-3H3;3-4H,2H2,1H3/t14-;;;;/m1..../s1.

What are the key properties of ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate?

ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate has a molecular weight of 2119.16 g/mol, XLogP of 19.77, 26 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-chloro-7-(2-fluoro-6-methoxy-N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-2-carboxylate;ethyl 7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;methyl (3R)-3-[[7-(2-fluoro-6-methoxy-N-methylanilino)-5-(3,4,5-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-methylamino]butanoate is sourced from PubChem (CID 158192815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).