tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol

C106H131Cl2IN31O28- — CID 158516142

IUPACtert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)nc12.COc1ncccc1N.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC[C@H]3O)c2n1.COc1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.O[I-]C[C@H]1CC[C@H]1O.[2H]C([2H])([2H])Oc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C23H29N7O5.C21H26N6O5.C19H22N6O5.C15H19ClN4O4.C6H6N2O3.2C6H8N2O.C5H3ClN2O2.C5H10IO2/c1-23(2,3)35-22(33)29(4)18-11-17(26-15-7-6-10-24-21(15)34-5)28-19-13(12-25-30(18)19)20(32)27-14-8-9-16(14)31;1-7-31-19(28)13-12-23-27-16(26(5)20(29)32-21(2,3)4)11-15(25-17(13)27)24-14-9-8-10-22-18(14)30-6;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-11-6-5(8(9)10)3-2-4-7-6;2*1-9-6-5(7)3-2-4-8-6;6-5-4(8(9)10)2-1-3-7-5;7-5-2-1-4(5)3-6-8/h6-7,10-12,14,16,31H,8-9H2,1-5H3,(H,26,28)(H,27,32);8-12H,7H2,1-6H3,(H,24,25);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;2-4H,1H3;2*2-4H,7H2,1H3;1-3H;4-5,7-8H,1-3H2/q;;;;;;;;-1/t14?,16-;;;;;;;;4-,5-/m1.......1/s1/i;;5D3;;;;;;
InChIKeyAHECFQBHIUUDEV-AHVMFLNZSA-N
MW2488.23 g/mol
LogP12.54
Rot. Bonds28

About tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol

tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol (PubChem CID 158516142) has the molecular formula C106H131Cl2IN31O28- and a molecular weight of 2488.23 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol
PubChem CID158516142
Molecular FormulaC106H131Cl2IN31O28-
Molecular Weight2488.23 g/mol
Exact Mass2485.84
IUPAC Nametert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)nc12.COc1ncccc1N.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC[C@H]3O)c2n1.COc1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.O[I-]C[C@H]1CC[C@H]1O.[2H]C([2H])([2H])Oc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C23H29N7O5.C21H26N6O5.C19H22N6O5.C15H19ClN4O4.C6H6N2O3.2C6H8N2O.C5H3ClN2O2.C5H10IO2/c1-23(2,3)35-22(33)29(4)18-11-17(26-15-7-6-10-24-21(15)34-5)28-19-13(12-25-30(18)19)20(32)27-14-8-9-16(14)31;1-7-31-19(28)13-12-23-27-16(26(5)20(29)32-21(2,3)4)11-15(25-17(13)27)24-14-9-8-10-22-18(14)30-6;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-11-6-5(8(9)10)3-2-4-7-6;2*1-9-6-5(7)3-2-4-8-6;6-5-4(8(9)10)2-1-3-7-5;7-5-2-1-4(5)3-6-8/h6-7,10-12,14,16,31H,8-9H2,1-5H3,(H,26,28)(H,27,32);8-12H,7H2,1-6H3,(H,24,25);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;2-4H,1H3;2*2-4H,7H2,1H3;1-3H;4-5,7-8H,1-3H2/q;;;;;;;;-1/t14?,16-;;;;;;;;4-,5-/m1.......1/s1/i;;5D3;;;;;;
InChIKeyAHECFQBHIUUDEV-AHVMFLNZSA-N
XLogP12.54
TPSA738.63 Ų
H-Bond Donors10
H-Bond Acceptors51
Rotatable Bonds28
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.23
LogP ≤ 512.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol with MolForge

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Related Compounds

3-aminochloranuidyl-1,1-difluorocyclobutane;tert-butyl N-[5-chloro-3-[2-(3,3-difluorocyclobutyl)acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-(3,3-difluorocyclobutyl)acetyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-(3,3-difluorocyclobutyl)-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxypyridin-3-amine
CID 158930353
tert-butyl N-methyl-N-[3-[2-(oxolan-2-yl)ethylcarbamoyl]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;7-(methylamino)-N-[2-(oxolan-2-yl)ethyl]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-(oxolan-2-yl)ethanamine
CID 157058536
(2R)-2-aminochloranuidylcyclobutan-1-ol;tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 157075614
tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-chloro-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;cyclopropanamine;N-cyclopropyl-7-(cyclopropylamino)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(5,7-dichloropyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxypyridin-3-amine
CID 157178721
tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2R)-2-(aminoiodanuidylmethyl)cyclobutan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 157302869
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(2-hydroxycyclobutyl)-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157305117
tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cis-(1R,2S)-2-aminocyclobutan-1-ol;N-[(2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 157386256
3-amino-2-methylpropan-1-ol;tert-butyl N-[3-(5-hydroxy-4-methylpentanoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-hydroxy-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-4-methylpentan-1-one;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 157626477
tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(2-cyclopropylacetyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;2-cyclopropyl-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine)
CID 157785485
3-aminochloranuidylcyclobutan-1-ol;bis(tert-butyl N-[5-chloro-3-[(3-hydroxycyclobutyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate);tert-butyl N-(3-hydroxycyclobutyl)carbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-cyclopropyloxypyridin-3-amine
CID 157891352
2-cyclopropyloxypyridin-3-amine;bis(5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);ethyl 5-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-cyclopropyloxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol
CID 157893236
7-amino-N-[(1R,2S)-2-fluorocyclopropyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;cis-(1S,2R)-1-fluoro-2-methylcyclopropane;ethyl 7-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methyl-5-[(2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 157998511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol?
The IUPAC name of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol (CID 158516142) is tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol.
What is the SMILES notation for tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol?
The canonical SMILES for tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)nc12.COc1ncccc1N.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)NC3CC[C@H]3O)c2n1.COc1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.O[I-]C[C@H]1CC[C@H]1O.[2H]C([2H])([2H])Oc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.
What is the InChIKey of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol?
The InChIKey is AHECFQBHIUUDEV-AHVMFLNZSA-N. The full InChI is InChI=1S/C23H29N7O5.C21H26N6O5.C19H22N6O5.C15H19ClN4O4.C6H6N2O3.2C6H8N2O.C5H3ClN2O2.C5H10IO2/c1-23(2,3)35-22(33)29(4)18-11-17(26-15-7-6-10-24-21(15)34-5)28-19-13(12-25-30(18)19)20(32)27-14-8-9-16(14)31;1-7-31-19(28)13-12-23-27-16(26(5)20(29)32-21(2,3)4)11-15(25-17(13)27)24-14-9-8-10-22-18(14)30-6;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-11-6-5(8(9)10)3-2-4-7-6;2*1-9-6-5(7)3-2-4-8-6;6-5-4(8(9)10)2-1-3-7-5;7-5-2-1-4(5)3-6-8/h6-7,10-12,14,16,31H,8-9H2,1-5H3,(H,26,28)(H,27,32);8-12H,7H2,1-6H3,(H,24,25);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;2-4H,1H3;2*2-4H,7H2,1H3;1-3H;4-5,7-8H,1-3H2/q;;;;;;;;-1/t14?,16-;;;;;;;;4-,5-/m1.......1/s1/i;;5D3;;;;;;.
What are the key properties of tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol?
tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol has a molecular weight of 2488.23 g/mol, XLogP of 12.54, 28 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2R)-2-hydroxycyclobutyl]carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;2-chloro-3-nitropyridine;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxy-3-nitropyridine;bis(2-methoxypyridin-3-amine);7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;trans-(1R,2S)-2-(hydroxyiodanuidylmethyl)cyclobutan-1-ol is sourced from PubChem (CID 158516142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).