1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate

C123H123Cl2N27O22 — CID 159418812

About 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate

1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate (PubChem CID 159418812) has the molecular formula C123H123Cl2N27O22 and a molecular weight of 2402.41 g/mol. Its IUPAC name is 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate.

Molecular Properties

• Compound Name: 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate
• PubChem CID: 159418812
• Molecular Formula: C123H123Cl2N27O22
• Molecular Weight: 2402.41 g/mol
• Exact Mass: 2399.87
• IUPAC Name: 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate
• SMILES: CCOC(=O)c1cn[nH]c1N.CCOC(=O)c1cnn2c(C(=O)NC3CCc4c3ccc(C)c4C)cc(C)nc12.CCOC(=O)c1cnn2c(C(=O)O)cc(C)nc12.CCOC(=O)c1cnn2c(C(=O)OC)cc(C)nc12.Cc1cc(C(=O)NC2CCc3c2ccc(C(=O)O)c3C)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.Cc1cc(C(=O)NC2CCc3c2ccc(C)c3C)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.Cc1cc(C(=O)NC2CCc3c2ccc(C)c3C)n2ncc(C(=O)O)c2n1
• InChI: InChI=1S/C26H22ClN5O4.C26H24ClN5O2.C22H24N4O3.C20H20N4O3.C12H13N3O4.C11H11N3O4.C6H9N3O2/c1-13-11-22(25(34)30-20-10-9-15-14(2)16(26(35)36)7-8-17(15)20)32-23(29-13)18(12-28-32)24(33)31-21-6-4-3-5-19(21)27;1-14-8-9-18-17(16(14)3)10-11-21(18)30-26(34)23-12-15(2)29-24-19(13-28-32(23)24)25(33)31-22-7-5-4-6-20(22)27;1-5-29-22(28)17-11-23-26-19(10-13(3)24-20(17)26)21(27)25-18-9-8-15-14(4)12(2)6-7-16(15)18;1-10-4-5-14-13(12(10)3)6-7-16(14)23-19(25)17-8-11(2)22-18-15(20(26)27)9-21-24(17)18;1-4-19-11(16)8-6-13-15-9(12(17)18-3)5-7(2)14-10(8)15;1-3-18-11(17)7-5-12-14-8(10(15)16)4-6(2)13-9(7)14;1-2-11-6(10)4-3-8-9-5(4)7/h3-8,11-12,20H,9-10H2,1-2H3,(H,30,34)(H,31,33)(H,35,36);4-9,12-13,21H,10-11H2,1-3H3,(H,30,34)(H,31,33);6-7,10-11,18H,5,8-9H2,1-4H3,(H,25,27);4-5,8-9,16H,6-7H2,1-3H3,(H,23,25)(H,26,27);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3,(H,15,16);3H,2H2,1H3,(H3,7,8,9)
• InChIKey: LPMSCFHPVRILTM-UHFFFAOYSA-N
• XLogP: 17.45
• TPSA: 653.84 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.41
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate?

The IUPAC name of 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate (CID 159418812) is 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate.

What is the SMILES notation for 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate?

The canonical SMILES for 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate is CCOC(=O)c1cn[nH]c1N.CCOC(=O)c1cnn2c(C(=O)NC3CCc4c3ccc(C)c4C)cc(C)nc12.CCOC(=O)c1cnn2c(C(=O)O)cc(C)nc12.CCOC(=O)c1cnn2c(C(=O)OC)cc(C)nc12.Cc1cc(C(=O)NC2CCc3c2ccc(C(=O)O)c3C)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.Cc1cc(C(=O)NC2CCc3c2ccc(C)c3C)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.Cc1cc(C(=O)NC2CCc3c2ccc(C)c3C)n2ncc(C(=O)O)c2n1.

What is the InChIKey of 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate?

The InChIKey is LPMSCFHPVRILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O4.C26H24ClN5O2.C22H24N4O3.C20H20N4O3.C12H13N3O4.C11H11N3O4.C6H9N3O2/c1-13-11-22(25(34)30-20-10-9-15-14(2)16(26(35)36)7-8-17(15)20)32-23(29-13)18(12-28-32)24(33)31-21-6-4-3-5-19(21)27;1-14-8-9-18-17(16(14)3)10-11-21(18)30-26(34)23-12-15(2)29-24-19(13-28-32(23)24)25(33)31-22-7-5-4-6-20(22)27;1-5-29-22(28)17-11-23-26-19(10-13(3)24-20(17)26)21(27)25-18-9-8-15-14(4)12(2)6-7-16(15)18;1-10-4-5-14-13(12(10)3)6-7-16(14)23-19(25)17-8-11(2)22-18-15(20(26)27)9-21-24(17)18;1-4-19-11(16)8-6-13-15-9(12(17)18-3)5-7(2)14-10(8)15;1-3-18-11(17)7-5-12-14-8(10(15)16)4-6(2)13-9(7)14;1-2-11-6(10)4-3-8-9-5(4)7/h3-8,11-12,20H,9-10H2,1-2H3,(H,30,34)(H,31,33)(H,35,36);4-9,12-13,21H,10-11H2,1-3H3,(H,30,34)(H,31,33);6-7,10-11,18H,5,8-9H2,1-4H3,(H,25,27);4-5,8-9,16H,6-7H2,1-3H3,(H,23,25)(H,26,27);5-6H,4H2,1-3H3;4-5H,3H2,1-2H3,(H,15,16);3H,2H2,1H3,(H3,7,8,9).

What are the key properties of 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate?

1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate has a molecular weight of 2402.41 g/mol, XLogP of 17.45, 24 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[(2-chlorophenyl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-7-N-(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide;7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;ethyl 5-amino-1H-pyrazole-4-carboxylate;ethyl 7-[(4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate;3-O-ethyl 7-O-methyl 5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate is sourced from PubChem (CID 159418812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).