7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C130H106BrCl5F8N26O15 — CID 158414142

About 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 158414142) has the molecular formula C130H106BrCl5F8N26O15 and a molecular weight of 2681.60 g/mol. Its IUPAC name is 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
• PubChem CID: 158414142
• Molecular Formula: C130H106BrCl5F8N26O15
• Molecular Weight: 2681.60 g/mol
• Exact Mass: 2676.58
• IUPAC Name: 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
• SMILES: COC(=O)c1cc(C)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.Cc1c(C(=O)O)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.O=C(NCc1ccc(F)c(F)c1)c1cc(CBr)n2ncc(C(=O)Nc3ccccc3Cl)c2n1
• InChI: InChI=1S/C37H35ClF2N6O4.C33H27ClF2N6O4.C22H15BrClF2N5O2.C22H16ClF2N5O2.C16H13ClN4O3/c1-20-23-12-14-30(25(23)11-10-24(20)36(49)50-37(2,3)4)41-18-22-16-32(35(48)42-17-21-9-13-28(39)29(40)15-21)44-33-26(19-43-46(22)33)34(47)45-31-8-6-5-7-27(31)38;1-17-20-9-11-27(22(20)8-7-21(17)33(45)46)37-15-19-13-29(32(44)38-14-18-6-10-25(35)26(36)12-18)40-30-23(16-39-42(19)30)31(43)41-28-5-3-2-4-24(28)34;23-9-13-8-19(22(33)27-10-12-5-6-16(25)17(26)7-12)29-20-14(11-28-31(13)20)21(32)30-18-4-2-1-3-15(18)24;1-12-8-19(22(32)26-10-13-6-7-16(24)17(25)9-13)28-20-14(11-27-30(12)20)21(31)29-18-5-3-2-4-15(18)23;1-9-7-13(16(23)24-2)19-14-10(8-18-21(9)14)15(22)20-12-6-4-3-5-11(12)17/h5-11,13,15-16,19,30,41H,12,14,17-18H2,1-4H3,(H,42,48)(H,45,47);2-8,10,12-13,16,27,37H,9,11,14-15H2,1H3,(H,38,44)(H,41,43)(H,45,46);1-8,11H,9-10H2,(H,27,33)(H,30,32);2-9,11H,10H2,1H3,(H,26,32)(H,29,31);3-8H,1-2H3,(H,20,22)/t30-;27-;;;/m00.../s1
• InChIKey: GZRGMMLWUBPNDD-BXILYWPCSA-N
• XLogP: 24.13
• TPSA: 526.81 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2681.60
LogP ≤ 5	24.13
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?

The IUPAC name of 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 158414142) is 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

What is the SMILES notation for 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?

The canonical SMILES for 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(C)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.Cc1c(C(=O)O)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.Cc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(C(=O)Nc3ccccc3Cl)cnn12.O=C(NCc1ccc(F)c(F)c1)c1cc(CBr)n2ncc(C(=O)Nc3ccccc3Cl)c2n1.

What is the InChIKey of 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?

The InChIKey is GZRGMMLWUBPNDD-BXILYWPCSA-N. The full InChI is InChI=1S/C37H35ClF2N6O4.C33H27ClF2N6O4.C22H15BrClF2N5O2.C22H16ClF2N5O2.C16H13ClN4O3/c1-20-23-12-14-30(25(23)11-10-24(20)36(49)50-37(2,3)4)41-18-22-16-32(35(48)42-17-21-9-13-28(39)29(40)15-21)44-33-26(19-43-46(22)33)34(47)45-31-8-6-5-7-27(31)38;1-17-20-9-11-27(22(20)8-7-21(17)33(45)46)37-15-19-13-29(32(44)38-14-18-6-10-25(35)26(36)12-18)40-30-23(16-39-42(19)30)31(43)41-28-5-3-2-4-24(28)34;23-9-13-8-19(22(33)27-10-12-5-6-16(25)17(26)7-12)29-20-14(11-28-31(13)20)21(32)30-18-4-2-1-3-15(18)24;1-12-8-19(22(32)26-10-13-6-7-16(24)17(25)9-13)28-20-14(11-27-30(12)20)21(31)29-18-5-3-2-4-15(18)23;1-9-7-13(16(23)24-2)19-14-10(8-18-21(9)14)15(22)20-12-6-4-3-5-11(12)17/h5-11,13,15-16,19,30,41H,12,14,17-18H2,1-4H3,(H,42,48)(H,45,47);2-8,10,12-13,16,27,37H,9,11,14-15H2,1H3,(H,38,44)(H,41,43)(H,45,46);1-8,11H,9-10H2,(H,27,33)(H,30,32);2-9,11H,10H2,1H3,(H,26,32)(H,29,31);3-8H,1-2H3,(H,20,22)/t30-;27-;;;/m00.../s1.

What are the key properties of 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?

7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 2681.60 g/mol, XLogP of 24.13, 32 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(bromomethyl)-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]-5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-3,5-dicarboxamide;methyl 3-[(2-chlorophenyl)carbamoyl]-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 158414142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).