tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane

C158H187F2IN30O23S2 — CID 159621116

IUPACtert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane
SMILESCC(C)(C)OC(=O)N1CC[C@H](O)C1.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCN(C(=O)OC(C)(C)C)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCN(CCF)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCNC4)c4ncccc34)nc12.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.FCCI
InChIInChI=1S/C33H37N7O4.C30H32FN7O2.C28H29N7O2.C24H22N6O2.2C16H23NO5S.C9H17NO3.C2H4FI/c1-6-43-31(41)25-18-35-40-28(37(5)19-22-11-8-7-9-12-22)17-27(36-30(25)40)26-21-39(29-24(26)13-10-15-34-29)23-14-16-38(20-23)32(42)44-33(2,3)4;1-3-40-30(39)24-17-33-38-27(35(2)18-21-8-5-4-6-9-21)16-26(34-29(24)38)25-20-37(28-23(25)10-7-13-32-28)22-11-14-36(19-22)15-12-31;1-3-37-28(36)22-16-31-35-25(33(2)17-19-8-5-4-6-9-19)14-24(32-27(22)35)23-18-34(20-11-13-29-15-20)26-21(23)10-7-12-30-26;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;2*1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4;1-9(2,3)13-8(12)10-5-4-7(11)6-10;3-1-2-4/h7-13,15,17-18,21,23H,6,14,16,19-20H2,1-5H3;4-10,13,16-17,20,22H,3,11-12,14-15,18-19H2,1-2H3;4-10,12,14,16,18,20,29H,3,11,13,15,17H2,1-2H3;4-14H,3,15H2,1-2H3,(H,25,26);2*5-8,13H,9-11H2,1-4H3;7,11H,4-6H2,1-3H3;1-2H2/t23-;22-;20-;;2*13-;7-;/m111.000./s1
InChIKeyMNXBBMVMAASIIZ-DEQITYPUSA-N
MW3103.45 g/mol
LogP26.49
Rot. Bonds36

About tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane

tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane (PubChem CID 159621116) has the molecular formula C158H187F2IN30O23S2 and a molecular weight of 3103.45 g/mol. Its IUPAC name is tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane.

Molecular Properties

Compound Nametert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane
PubChem CID159621116
Molecular FormulaC158H187F2IN30O23S2
Molecular Weight3103.45 g/mol
Exact Mass3101.28
IUPAC Nametert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane
SMILESCC(C)(C)OC(=O)N1CC[C@H](O)C1.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCN(C(=O)OC(C)(C)C)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCN(CCF)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCNC4)c4ncccc34)nc12.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.FCCI
InChIInChI=1S/C33H37N7O4.C30H32FN7O2.C28H29N7O2.C24H22N6O2.2C16H23NO5S.C9H17NO3.C2H4FI/c1-6-43-31(41)25-18-35-40-28(37(5)19-22-11-8-7-9-12-22)17-27(36-30(25)40)26-21-39(29-24(26)13-10-15-34-29)23-14-16-38(20-23)32(42)44-33(2,3)4;1-3-40-30(39)24-17-33-38-27(35(2)18-21-8-5-4-6-9-21)16-26(34-29(24)38)25-20-37(28-23(25)10-7-13-32-28)22-11-14-36(19-22)15-12-31;1-3-37-28(36)22-16-31-35-25(33(2)17-19-8-5-4-6-9-19)14-24(32-27(22)35)23-18-34(20-11-13-29-15-20)26-21(23)10-7-12-30-26;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;2*1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4;1-9(2,3)13-8(12)10-5-4-7(11)6-10;3-1-2-4/h7-13,15,17-18,21,23H,6,14,16,19-20H2,1-5H3;4-10,13,16-17,20,22H,3,11-12,14-15,18-19H2,1-2H3;4-10,12,14,16,18,20,29H,3,11,13,15,17H2,1-2H3;4-14H,3,15H2,1-2H3,(H,25,26);2*5-8,13H,9-11H2,1-4H3;7,11H,4-6H2,1-3H3;1-2H2/t23-;22-;20-;;2*13-;7-;/m111.000./s1
InChIKeyMNXBBMVMAASIIZ-DEQITYPUSA-N
XLogP26.49
TPSA561.46 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds36
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003103.45
LogP ≤ 526.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane?
The IUPAC name of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane (CID 159621116) is tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane.
What is the SMILES notation for tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane?
The canonical SMILES for tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane is CC(C)(C)OC(=O)N1CC[C@H](O)C1.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCN(C(=O)OC(C)(C)C)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCN(CCF)C4)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCNC4)c4ncccc34)nc12.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccc(S(=O)(=O)O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1.FCCI.
What is the InChIKey of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane?
The InChIKey is MNXBBMVMAASIIZ-DEQITYPUSA-N. The full InChI is InChI=1S/C33H37N7O4.C30H32FN7O2.C28H29N7O2.C24H22N6O2.2C16H23NO5S.C9H17NO3.C2H4FI/c1-6-43-31(41)25-18-35-40-28(37(5)19-22-11-8-7-9-12-22)17-27(36-30(25)40)26-21-39(29-24(26)13-10-15-34-29)23-14-16-38(20-23)32(42)44-33(2,3)4;1-3-40-30(39)24-17-33-38-27(35(2)18-21-8-5-4-6-9-21)16-26(34-29(24)38)25-20-37(28-23(25)10-7-13-32-28)22-11-14-36(19-22)15-12-31;1-3-37-28(36)22-16-31-35-25(33(2)17-19-8-5-4-6-9-19)14-24(32-27(22)35)23-18-34(20-11-13-29-15-20)26-21(23)10-7-12-30-26;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;2*1-12-5-7-14(8-6-12)23(19,20)22-13-9-10-17(11-13)15(18)21-16(2,3)4;1-9(2,3)13-8(12)10-5-4-7(11)6-10;3-1-2-4/h7-13,15,17-18,21,23H,6,14,16,19-20H2,1-5H3;4-10,13,16-17,20,22H,3,11-12,14-15,18-19H2,1-2H3;4-10,12,14,16,18,20,29H,3,11,13,15,17H2,1-2H3;4-14H,3,15H2,1-2H3,(H,25,26);2*5-8,13H,9-11H2,1-4H3;7,11H,4-6H2,1-3H3;1-2H2/t23-;22-;20-;;2*13-;7-;/m111.000./s1.
What are the key properties of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane?
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane has a molecular weight of 3103.45 g/mol, XLogP of 26.49, 36 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane is sourced from PubChem (CID 159621116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).