tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine

C115H138Cl3F5N30O28 — CID 165055506

IUPACtert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c(OC)cc1F)N2.COc1cc(F)c(COC[C@@H](C)N)cc1[N+](=O)[O-].COc1cc(F)c(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.COc1cc(F)c(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1[N+](=O)[O-].COc1cc(F)c2cc1Nc1cc(N(C)C(=O)OC(C)(C)C)n3ncc(c3n1)C(=O)N[C@H](C)COC2
InChIInChI=1S/C24H28ClFN6O7.C24H30ClFN6O5.C24H29FN6O5.C19H21FN6O3.C13H15ClN4O4.C11H15FN2O4/c1-13(11-38-12-14-7-17(32(35)36)18(37-6)8-16(14)26)28-22(33)15-10-27-31-20(9-19(25)29-21(15)31)30(5)23(34)39-24(2,3)4;1-13(11-36-12-14-7-17(27)18(35-6)8-16(14)26)29-22(33)15-10-28-32-20(9-19(25)30-21(15)32)31(5)23(34)37-24(2,3)4;1-13-11-35-12-14-7-17(18(34-6)8-16(14)25)28-19-9-20(30(5)23(33)36-24(2,3)4)31-21(29-19)15(10-26-31)22(32)27-13;1-10-8-29-9-11-4-14(15(28-3)5-13(11)20)24-16-6-17(21-2)26-18(25-16)12(7-22-26)19(27)23-10;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-7(13)5-18-6-8-3-10(14(15)16)11(17-2)4-9(8)12/h7-10,13H,11-12H2,1-6H3,(H,28,33);7-10,13H,11-12,27H2,1-6H3,(H,29,33);7-10,13H,11-12H2,1-6H3,(H,27,32)(H,28,29);4-7,10,21H,8-9H2,1-3H3,(H,23,27)(H,24,25);5-6H,1-4H3,(H,19,20);3-4,7H,5-6,13H2,1-2H3/t3*13-;10-;;7-/m1111.1/s1
InChIKeyQIQMEUPDEJZBIM-XKYIEQLVSA-N
MW2589.90 g/mol
LogP17.97
Rot. Bonds29

About tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine

tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine (PubChem CID 165055506) has the molecular formula C115H138Cl3F5N30O28 and a molecular weight of 2589.90 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
PubChem CID165055506
Molecular FormulaC115H138Cl3F5N30O28
Molecular Weight2589.90 g/mol
Exact Mass2586.93
IUPAC Nametert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
SMILESCN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c(OC)cc1F)N2.COc1cc(F)c(COC[C@@H](C)N)cc1[N+](=O)[O-].COc1cc(F)c(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.COc1cc(F)c(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1[N+](=O)[O-].COc1cc(F)c2cc1Nc1cc(N(C)C(=O)OC(C)(C)C)n3ncc(c3n1)C(=O)N[C@H](C)COC2
InChIInChI=1S/C24H28ClFN6O7.C24H30ClFN6O5.C24H29FN6O5.C19H21FN6O3.C13H15ClN4O4.C11H15FN2O4/c1-13(11-38-12-14-7-17(32(35)36)18(37-6)8-16(14)26)28-22(33)15-10-27-31-20(9-19(25)29-21(15)31)30(5)23(34)39-24(2,3)4;1-13(11-36-12-14-7-17(27)18(35-6)8-16(14)26)29-22(33)15-10-28-32-20(9-19(25)30-21(15)32)31(5)23(34)37-24(2,3)4;1-13-11-35-12-14-7-17(18(34-6)8-16(14)25)28-19-9-20(30(5)23(33)36-24(2,3)4)31-21(29-19)15(10-26-31)22(32)27-13;1-10-8-29-9-11-4-14(15(28-3)5-13(11)20)24-16-6-17(21-2)26-18(25-16)12(7-22-26)19(27)23-10;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-7(13)5-18-6-8-3-10(14(15)16)11(17-2)4-9(8)12/h7-10,13H,11-12H2,1-6H3,(H,28,33);7-10,13H,11-12,27H2,1-6H3,(H,29,33);7-10,13H,11-12H2,1-6H3,(H,27,32)(H,28,29);4-7,10,21H,8-9H2,1-3H3,(H,23,27)(H,24,25);5-6H,1-4H3,(H,19,20);3-4,7H,5-6,13H2,1-2H3/t3*13-;10-;;7-/m1111.1/s1
InChIKeyQIQMEUPDEJZBIM-XKYIEQLVSA-N
XLogP17.97
TPSA689.52 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds29
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.90
LogP ≤ 517.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
The IUPAC name of tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine (CID 165055506) is tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine.
What is the SMILES notation for tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
The canonical SMILES for tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CNc1cc2nc3c(cnn13)C(=O)N[C@H](C)COCc1cc(c(OC)cc1F)N2.COc1cc(F)c(COC[C@@H](C)N)cc1[N+](=O)[O-].COc1cc(F)c(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.COc1cc(F)c(COC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1[N+](=O)[O-].COc1cc(F)c2cc1Nc1cc(N(C)C(=O)OC(C)(C)C)n3ncc(c3n1)C(=O)N[C@H](C)COC2.
What is the InChIKey of tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
The InChIKey is QIQMEUPDEJZBIM-XKYIEQLVSA-N. The full InChI is InChI=1S/C24H28ClFN6O7.C24H30ClFN6O5.C24H29FN6O5.C19H21FN6O3.C13H15ClN4O4.C11H15FN2O4/c1-13(11-38-12-14-7-17(32(35)36)18(37-6)8-16(14)26)28-22(33)15-10-27-31-20(9-19(25)29-21(15)31)30(5)23(34)39-24(2,3)4;1-13(11-36-12-14-7-17(27)18(35-6)8-16(14)26)29-22(33)15-10-28-32-20(9-19(25)30-21(15)32)31(5)23(34)37-24(2,3)4;1-13-11-35-12-14-7-17(18(34-6)8-16(14)25)28-19-9-20(30(5)23(33)36-24(2,3)4)31-21(29-19)15(10-26-31)22(32)27-13;1-10-8-29-9-11-4-14(15(28-3)5-13(11)20)24-16-6-17(21-2)26-18(25-16)12(7-22-26)19(27)23-10;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-7(13)5-18-6-8-3-10(14(15)16)11(17-2)4-9(8)12/h7-10,13H,11-12H2,1-6H3,(H,28,33);7-10,13H,11-12,27H2,1-6H3,(H,29,33);7-10,13H,11-12H2,1-6H3,(H,27,32)(H,28,29);4-7,10,21H,8-9H2,1-3H3,(H,23,27)(H,24,25);5-6H,1-4H3,(H,19,20);3-4,7H,5-6,13H2,1-2H3/t3*13-;10-;;7-/m1111.1/s1.
What are the key properties of tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine?
tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine has a molecular weight of 2589.90 g/mol, XLogP of 17.97, 29 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine is sourced from PubChem (CID 165055506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).