5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C121H133F9N44O14 — CID 165032658

IUPAC5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(C)=O)cnn12.CNC(=O)c1cnn2c(NC)cc(Nc3cc(F)cc(F)c3OC)nc12.CNc1cc(N/C(C=CN)=N/CC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)NC3CC3C)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(C)=O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NC3CCOC3)cnn12.CNc1cc(Nc2ccnn2CCO)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H22N6O4.C19H20F2N6O2.C18H21N5O.C16H19F3N8O.C16H16F2N6O2.C16H15F2N5O2.C16H20N8O2/c1-21-17-9-16(24-14-3-2-4-15-18(14)30-8-7-29-15)25-19-13(10-22-26(17)19)20(27)23-12-5-6-28-11-12;1-9-4-13(9)25-19(28)11-8-23-27-16(22-2)7-15(26-18(11)27)24-14-6-10(20)5-12(21)17(14)29-3;1-5-19-17-9-16(21-14-7-11(2)6-12(3)8-14)22-18-15(13(4)24)10-20-23(17)18;1-21-13-6-12(25-11(4-5-20)22-8-16(17,18)19)26-14-10(7-23-27(13)14)15(28)24-9-2-3-9;1-19-13-6-12(22-11-5-8(17)4-10(18)14(11)26-3)23-15-9(16(25)20-2)7-21-24(13)15;1-8(24)10-7-20-23-14(19-2)6-13(22-16(10)23)21-12-5-9(17)4-11(18)15(12)25-3;1-17-14-8-12(21-13-4-5-18-23(13)6-7-25)22-15-11(9-19-24(14)15)16(26)20-10-2-3-10/h2-4,9-10,12,21H,5-8,11H2,1H3,(H,23,27)(H,24,25);5-9,13,22H,4H2,1-3H3,(H,24,26)(H,25,28);6-10,19H,5H2,1-4H3,(H,21,22);4-7,9,21H,2-3,8,20H2,1H3,(H,24,28)(H,22,25,26);4-7,19H,1-3H3,(H,20,25)(H,22,23);4-7,19H,1-3H3,(H,21,22);4-5,8-10,17,25H,2-3,6-7H2,1H3,(H,20,26)(H,21,22)
InChIKeyOAHVGXNRROEBDP-UHFFFAOYSA-N
MW2598.67 g/mol
LogP15.74
Rot. Bonds39

About 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 165032658) has the molecular formula C121H133F9N44O14 and a molecular weight of 2598.67 g/mol. Its IUPAC name is 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID165032658
Molecular FormulaC121H133F9N44O14
Molecular Weight2598.67 g/mol
Exact Mass2597.09
IUPAC Name5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(C)=O)cnn12.CNC(=O)c1cnn2c(NC)cc(Nc3cc(F)cc(F)c3OC)nc12.CNc1cc(N/C(C=CN)=N/CC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)NC3CC3C)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(C)=O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NC3CCOC3)cnn12.CNc1cc(Nc2ccnn2CCO)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C20H22N6O4.C19H20F2N6O2.C18H21N5O.C16H19F3N8O.C16H16F2N6O2.C16H15F2N5O2.C16H20N8O2/c1-21-17-9-16(24-14-3-2-4-15-18(14)30-8-7-29-15)25-19-13(10-22-26(17)19)20(27)23-12-5-6-28-11-12;1-9-4-13(9)25-19(28)11-8-23-27-16(22-2)7-15(26-18(11)27)24-14-6-10(20)5-12(21)17(14)29-3;1-5-19-17-9-16(21-14-7-11(2)6-12(3)8-14)22-18-15(13(4)24)10-20-23(17)18;1-21-13-6-12(25-11(4-5-20)22-8-16(17,18)19)26-14-10(7-23-27(13)14)15(28)24-9-2-3-9;1-19-13-6-12(22-11-5-8(17)4-10(18)14(11)26-3)23-15-9(16(25)20-2)7-21-24(13)15;1-8(24)10-7-20-23-14(19-2)6-13(22-16(10)23)21-12-5-9(17)4-11(18)15(12)25-3;1-17-14-8-12(21-13-4-5-18-23(13)6-7-25)22-15-11(9-19-24(14)15)16(26)20-10-2-3-10/h2-4,9-10,12,21H,5-8,11H2,1H3,(H,23,27)(H,24,25);5-9,13,22H,4H2,1-3H3,(H,24,26)(H,25,28);6-10,19H,5H2,1-4H3,(H,21,22);4-7,9,21H,2-3,8,20H2,1H3,(H,24,28)(H,22,25,26);4-7,19H,1-3H3,(H,20,25)(H,22,23);4-7,19H,1-3H3,(H,21,22);4-5,8-10,17,25H,2-3,6-7H2,1H3,(H,20,26)(H,21,22)
InChIKeyOAHVGXNRROEBDP-UHFFFAOYSA-N
XLogP15.74
TPSA691.20 Ų
H-Bond Donors21
H-Bond Acceptors52
Rotatable Bonds39
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002598.67
LogP ≤ 515.74
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 165032658) is 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CCNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(C)=O)cnn12.CNC(=O)c1cnn2c(NC)cc(Nc3cc(F)cc(F)c3OC)nc12.CNc1cc(N/C(C=CN)=N/CC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(=O)NC3CC3C)cnn12.CNc1cc(Nc2cc(F)cc(F)c2OC)nc2c(C(C)=O)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(C(=O)NC3CCOC3)cnn12.CNc1cc(Nc2ccnn2CCO)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is OAHVGXNRROEBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4.C19H20F2N6O2.C18H21N5O.C16H19F3N8O.C16H16F2N6O2.C16H15F2N5O2.C16H20N8O2/c1-21-17-9-16(24-14-3-2-4-15-18(14)30-8-7-29-15)25-19-13(10-22-26(17)19)20(27)23-12-5-6-28-11-12;1-9-4-13(9)25-19(28)11-8-23-27-16(22-2)7-15(26-18(11)27)24-14-6-10(20)5-12(21)17(14)29-3;1-5-19-17-9-16(21-14-7-11(2)6-12(3)8-14)22-18-15(13(4)24)10-20-23(17)18;1-21-13-6-12(25-11(4-5-20)22-8-16(17,18)19)26-14-10(7-23-27(13)14)15(28)24-9-2-3-9;1-19-13-6-12(22-11-5-8(17)4-10(18)14(11)26-3)23-15-9(16(25)20-2)7-21-24(13)15;1-8(24)10-7-20-23-14(19-2)6-13(22-16(10)23)21-12-5-9(17)4-11(18)15(12)25-3;1-17-14-8-12(21-13-4-5-18-23(13)6-7-25)22-15-11(9-19-24(14)15)16(26)20-10-2-3-10/h2-4,9-10,12,21H,5-8,11H2,1H3,(H,23,27)(H,24,25);5-9,13,22H,4H2,1-3H3,(H,24,26)(H,25,28);6-10,19H,5H2,1-4H3,(H,21,22);4-7,9,21H,2-3,8,20H2,1H3,(H,24,28)(H,22,25,26);4-7,19H,1-3H3,(H,20,25)(H,22,23);4-7,19H,1-3H3,(H,21,22);4-5,8-10,17,25H,2-3,6-7H2,1H3,(H,20,26)(H,21,22).
What are the key properties of 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 2598.67 g/mol, XLogP of 15.74, 39 rotatable bonds, 21 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 165032658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).