5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C138H145F21N38O16 — CID 163745347

IUPAC5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2nc3ccccc3[nH]2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2nc3ccccc3n2C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)NC(c3ccccc3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C)(C)NC2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12
InChIInChI=1S/C22H22F3N5O3.C21H19F3N6O.C20H17F3N6O.3C19H22F3N5O3.C18H21F3N6O2/c1-12(2)16-11-29(21(32)33-16)17-9-13(3)30-19(27-17)15(10-26-30)20(31)28-18(22(23,24)25)14-7-5-4-6-8-14;1-11-9-15(19-26-14-5-3-4-6-16(14)29(19)2)27-18-13(10-25-30(11)18)20(31)28-17(12-7-8-12)21(22,23)24;1-10-8-15(17-25-13-4-2-3-5-14(13)26-17)27-18-12(9-24-29(10)18)19(30)28-16(11-6-7-11)20(21,22)23;3*1-9(2)13-8-26(18(29)30-13)14-6-10(3)27-16(24-14)12(7-23-27)17(28)25-15(11-4-5-11)19(20,21)22;1-9-6-12(26-8-17(2,3)25-16(26)29)23-14-11(7-22-27(9)14)15(28)24-13(10-4-5-10)18(19,20)21/h4-10,12,16,18H,11H2,1-3H3,(H,28,31);3-6,9-10,12,17H,7-8H2,1-2H3,(H,28,31);2-5,8-9,11,16H,6-7H2,1H3,(H,25,26)(H,28,30);3*6-7,9,11,13,15H,4-5,8H2,1-3H3,(H,25,28);6-7,10,13H,4-5,8H2,1-3H3,(H,24,28)(H,25,29)/t;;;2*13?,15-;;/m...10../s1
InChIKeyLLJMPGOICMHMKJ-YFIZXXMRSA-N
MW2990.89 g/mol
LogP23.05
Rot. Bonds32

About 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163745347) has the molecular formula C138H145F21N38O16 and a molecular weight of 2990.89 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163745347
Molecular FormulaC138H145F21N38O16
Molecular Weight2990.89 g/mol
Exact Mass2989.14
IUPAC Name5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2nc3ccccc3[nH]2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2nc3ccccc3n2C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)NC(c3ccccc3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C)(C)NC2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12
InChIInChI=1S/C22H22F3N5O3.C21H19F3N6O.C20H17F3N6O.3C19H22F3N5O3.C18H21F3N6O2/c1-12(2)16-11-29(21(32)33-16)17-9-13(3)30-19(27-17)15(10-26-30)20(31)28-18(22(23,24)25)14-7-5-4-6-8-14;1-11-9-15(19-26-14-5-3-4-6-16(14)29(19)2)27-18-13(10-25-30(11)18)20(31)28-17(12-7-8-12)21(22,23)24;1-10-8-15(17-25-13-4-2-3-5-14(13)26-17)27-18-12(9-24-29(10)18)19(30)28-16(11-6-7-11)20(21,22)23;3*1-9(2)13-8-26(18(29)30-13)14-6-10(3)27-16(24-14)12(7-23-27)17(28)25-15(11-4-5-11)19(20,21)22;1-9-6-12(26-8-17(2,3)25-16(26)29)23-14-11(7-22-27(9)14)15(28)24-13(10-4-5-10)18(19,20)21/h4-10,12,16,18H,11H2,1-3H3,(H,28,31);3-6,9-10,12,17H,7-8H2,1-2H3,(H,28,31);2-5,8-9,11,16H,6-7H2,1H3,(H,25,26)(H,28,30);3*6-7,9,11,13,15H,4-5,8H2,1-3H3,(H,25,28);6-7,10,13H,4-5,8H2,1-3H3,(H,24,28)(H,25,29)/t;;;2*13?,15-;;/m...10../s1
InChIKeyLLJMPGOICMHMKJ-YFIZXXMRSA-N
XLogP23.05
TPSA612.03 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms213
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002990.89
LogP ≤ 523.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163745347) is 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2nc3ccccc3[nH]2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2nc3ccccc3n2C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)NC(c3ccccc3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C(C)C)OC2=O)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(N2CC(C)(C)NC2=O)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LLJMPGOICMHMKJ-YFIZXXMRSA-N. The full InChI is InChI=1S/C22H22F3N5O3.C21H19F3N6O.C20H17F3N6O.3C19H22F3N5O3.C18H21F3N6O2/c1-12(2)16-11-29(21(32)33-16)17-9-13(3)30-19(27-17)15(10-26-30)20(31)28-18(22(23,24)25)14-7-5-4-6-8-14;1-11-9-15(19-26-14-5-3-4-6-16(14)29(19)2)27-18-13(10-25-30(11)18)20(31)28-17(12-7-8-12)21(22,23)24;1-10-8-15(17-25-13-4-2-3-5-14(13)26-17)27-18-12(9-24-29(10)18)19(30)28-16(11-6-7-11)20(21,22)23;3*1-9(2)13-8-26(18(29)30-13)14-6-10(3)27-16(24-14)12(7-23-27)17(28)25-15(11-4-5-11)19(20,21)22;1-9-6-12(26-8-17(2,3)25-16(26)29)23-14-11(7-22-27(9)14)15(28)24-13(10-4-5-10)18(19,20)21/h4-10,12,16,18H,11H2,1-3H3,(H,28,31);3-6,9-10,12,17H,7-8H2,1-2H3,(H,28,31);2-5,8-9,11,16H,6-7H2,1H3,(H,25,26)(H,28,30);3*6-7,9,11,13,15H,4-5,8H2,1-3H3,(H,25,28);6-7,10,13H,4-5,8H2,1-3H3,(H,24,28)(H,25,29)/t;;;2*13?,15-;;/m...10../s1.
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2990.89 g/mol, XLogP of 23.05, 32 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-methyl-5-(2-oxo-5-propan-2-yl-1,3-oxazolidin-3-yl)-N-(2,2,2-trifluoro-1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163745347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).