5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C151H158ClF7N48O21 — CID 165075203

IUPAC5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.CNc1cc(Nc2cccc3c2CCCO3)nc2c(C(=O)NC3CC3)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(Cl)cc3c2OCCO3)nc2c(C(=O)NC3CC3)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)NC)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(C)=O)cnn12.[2H]C([2H])([2H])n1cccc(Nc2cc(NC)n3ncc(C(=O)N[C@H]4C[C@H]4F)c3n2)c1=O
InChIInChI=1S/C23H30N6O2.C20H22N6O2.C19H19ClN6O3.2C19H18F2N6O3.C17H18FN7O2.C17H17FN6O3.C17H16FN5O3/c1-5-23(2,3)14-25-22(30)16-13-26-29-20(24-4)12-19(28-21(16)29)27-17-9-6-10-18-15(17)8-7-11-31-18;1-21-18-10-17(24-15-5-2-6-16-13(15)4-3-9-28-16)25-19-14(11-22-26(18)19)20(27)23-12-7-8-12;1-21-16-8-15(24-13-6-10(20)7-14-17(13)29-5-4-28-14)25-18-12(9-22-26(16)18)19(27)23-11-2-3-11;2*1-22-16-7-15(24-13-4-9(20)5-14-17(13)30-3-2-29-14)26-18-10(8-23-27(16)18)19(28)25-12-6-11(12)21;1-19-14-7-13(21-11-4-3-5-24(2)17(11)27)23-15-9(8-20-25(14)15)16(26)22-12-6-10(12)18;1-19-14-7-13(23-16-10(17(25)20-2)8-21-24(14)16)22-11-5-9(18)6-12-15(11)27-4-3-26-12;1-9(24)11-8-20-23-15(19-2)7-14(22-17(11)23)21-12-5-10(18)6-13-16(12)26-4-3-25-13/h6,9-10,12-13,24H,5,7-8,11,14H2,1-4H3,(H,25,30)(H,27,28);2,5-6,10-12,21H,3-4,7-9H2,1H3,(H,23,27)(H,24,25);6-9,11,21H,2-5H2,1H3,(H,23,27)(H,24,25);2*4-5,7-8,11-12,22H,2-3,6H2,1H3,(H,24,26)(H,25,28);3-5,7-8,10,12,19H,6H2,1-2H3,(H,21,23)(H,22,26);5-8,19H,3-4H2,1-2H3,(H,20,25)(H,22,23);5-8,19H,3-4H2,1-2H3,(H,21,22)/t;;;2*11-,12+;10-,12+;;/m...101../s1/i;;3*1D3;2D3;1D3;2D3
InChIKeyUERZVEJCOJSXMZ-NXWJOYMNSA-N
MW3167.79 g/mol
LogP19.56
Rot. Bonds46

About 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 165075203) has the molecular formula C151H158ClF7N48O21 and a molecular weight of 3167.79 g/mol. Its IUPAC name is 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID165075203
Molecular FormulaC151H158ClF7N48O21
Molecular Weight3167.79 g/mol
Exact Mass3165.35
IUPAC Name5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.CNc1cc(Nc2cccc3c2CCCO3)nc2c(C(=O)NC3CC3)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(Cl)cc3c2OCCO3)nc2c(C(=O)NC3CC3)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)NC)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(C)=O)cnn12.[2H]C([2H])([2H])n1cccc(Nc2cc(NC)n3ncc(C(=O)N[C@H]4C[C@H]4F)c3n2)c1=O
InChIInChI=1S/C23H30N6O2.C20H22N6O2.C19H19ClN6O3.2C19H18F2N6O3.C17H18FN7O2.C17H17FN6O3.C17H16FN5O3/c1-5-23(2,3)14-25-22(30)16-13-26-29-20(24-4)12-19(28-21(16)29)27-17-9-6-10-18-15(17)8-7-11-31-18;1-21-18-10-17(24-15-5-2-6-16-13(15)4-3-9-28-16)25-19-14(11-22-26(18)19)20(27)23-12-7-8-12;1-21-16-8-15(24-13-6-10(20)7-14-17(13)29-5-4-28-14)25-18-12(9-22-26(16)18)19(27)23-11-2-3-11;2*1-22-16-7-15(24-13-4-9(20)5-14-17(13)30-3-2-29-14)26-18-10(8-23-27(16)18)19(28)25-12-6-11(12)21;1-19-14-7-13(21-11-4-3-5-24(2)17(11)27)23-15-9(8-20-25(14)15)16(26)22-12-6-10(12)18;1-19-14-7-13(23-16-10(17(25)20-2)8-21-24(14)16)22-11-5-9(18)6-12-15(11)27-4-3-26-12;1-9(24)11-8-20-23-15(19-2)7-14(22-17(11)23)21-12-5-10(18)6-13-16(12)26-4-3-25-13/h6,9-10,12-13,24H,5,7-8,11,14H2,1-4H3,(H,25,30)(H,27,28);2,5-6,10-12,21H,3-4,7-9H2,1H3,(H,23,27)(H,24,25);6-9,11,21H,2-5H2,1H3,(H,23,27)(H,24,25);2*4-5,7-8,11-12,22H,2-3,6H2,1H3,(H,24,26)(H,25,28);3-5,7-8,10,12,19H,6H2,1-2H3,(H,21,23)(H,22,26);5-8,19H,3-4H2,1-2H3,(H,20,25)(H,22,23);5-8,19H,3-4H2,1-2H3,(H,21,22)/t;;;2*11-,12+;10-,12+;;/m...101../s1/i;;3*1D3;2D3;1D3;2D3
InChIKeyUERZVEJCOJSXMZ-NXWJOYMNSA-N
XLogP19.56
TPSA787.53 Ų
H-Bond Donors23
H-Bond Acceptors62
Rotatable Bonds46
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003167.79
LogP ≤ 519.56
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1062

Analyze 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 165075203) is 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CCC(C)(C)CNC(=O)c1cnn2c(NC)cc(Nc3cccc4c3CCCO4)nc12.CNc1cc(Nc2cccc3c2CCCO3)nc2c(C(=O)NC3CC3)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(Cl)cc3c2OCCO3)nc2c(C(=O)NC3CC3)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)NC)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.[2H]C([2H])([2H])Nc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(C(C)=O)cnn12.[2H]C([2H])([2H])n1cccc(Nc2cc(NC)n3ncc(C(=O)N[C@H]4C[C@H]4F)c3n2)c1=O.
What is the InChIKey of 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is UERZVEJCOJSXMZ-NXWJOYMNSA-N. The full InChI is InChI=1S/C23H30N6O2.C20H22N6O2.C19H19ClN6O3.2C19H18F2N6O3.C17H18FN7O2.C17H17FN6O3.C17H16FN5O3/c1-5-23(2,3)14-25-22(30)16-13-26-29-20(24-4)12-19(28-21(16)29)27-17-9-6-10-18-15(17)8-7-11-31-18;1-21-18-10-17(24-15-5-2-6-16-13(15)4-3-9-28-16)25-19-14(11-22-26(18)19)20(27)23-12-7-8-12;1-21-16-8-15(24-13-6-10(20)7-14-17(13)29-5-4-28-14)25-18-12(9-22-26(16)18)19(27)23-11-2-3-11;2*1-22-16-7-15(24-13-4-9(20)5-14-17(13)30-3-2-29-14)26-18-10(8-23-27(16)18)19(28)25-12-6-11(12)21;1-19-14-7-13(21-11-4-3-5-24(2)17(11)27)23-15-9(8-20-25(14)15)16(26)22-12-6-10(12)18;1-19-14-7-13(23-16-10(17(25)20-2)8-21-24(14)16)22-11-5-9(18)6-12-15(11)27-4-3-26-12;1-9(24)11-8-20-23-15(19-2)7-14(22-17(11)23)21-12-5-10(18)6-13-16(12)26-4-3-25-13/h6,9-10,12-13,24H,5,7-8,11,14H2,1-4H3,(H,25,30)(H,27,28);2,5-6,10-12,21H,3-4,7-9H2,1H3,(H,23,27)(H,24,25);6-9,11,21H,2-5H2,1H3,(H,23,27)(H,24,25);2*4-5,7-8,11-12,22H,2-3,6H2,1H3,(H,24,26)(H,25,28);3-5,7-8,10,12,19H,6H2,1-2H3,(H,21,23)(H,22,26);5-8,19H,3-4H2,1-2H3,(H,20,25)(H,22,23);5-8,19H,3-4H2,1-2H3,(H,21,22)/t;;;2*11-,12+;10-,12+;;/m...101../s1/i;;3*1D3;2D3;1D3;2D3.
What are the key properties of 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 3167.79 g/mol, XLogP of 19.56, 46 rotatable bonds, 23 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-cyclopropyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-(3,4-dihydro-2H-chromen-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,4-dihydro-2H-chromen-5-ylamino)-N-(2,2-dimethylbutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2S)-2-fluorocyclopropyl]-5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-oxo-1-(trideuteriomethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-N-methyl-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(trideuteriomethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 165075203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).