tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane

C150H180F17N22O29P — CID 167639826

IUPACtert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2nc[nH]c12.CC(C)(C)OC(=O)NC1(C(O)C(F)F)CCCNC1.COC(=O)c1cc(-c2cc(F)c(OC)cc2F)ncc1F.COC(=O)c1cc(-c2cc(F)c(OC)cc2F)ncc1N1CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C1.COc1cc(F)c(-c2cc(CO)c(N3CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C3)cn2)cc1F.COc1cc(F)c(-c2cc(Cn3cnc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc43)c(N3CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C3)cn2)cc1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H50F4N8O8.C26H31F4N3O6.C25H31F4N3O5.C18H15P.C15H21N5O4.C14H10F3NO3.C12H22F2N2O3/c1-37(2,3)58-34(54)49-40(30(53)31(43)44)12-11-13-50(19-40)27-17-45-26(23-15-25(42)28(57-10)16-24(23)41)14-22(27)18-51-21-48-29-32(51)46-20-47-33(29)52(35(55)59-38(4,5)6)36(56)60-39(7,8)9;1-25(2,3)39-24(36)32-26(21(34)22(29)30)7-6-8-33(13-26)19-12-31-18(10-15(19)23(35)38-5)14-9-17(28)20(37-4)11-16(14)27;1-24(2,3)37-23(35)31-25(21(34)22(28)29)6-5-7-32(13-25)19-11-30-18(8-14(19)12-33)15-9-17(27)20(36-4)10-16(15)26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,3)23-12(21)20(13(22)24-15(4,5)6)11-9-10(17-7-16-9)18-8-19-11;1-20-13-5-9(15)7(3-10(13)16)12-4-8(14(19)21-2)11(17)6-18-12;1-11(2,3)19-10(18)16-12(8(17)9(13)14)5-4-6-15-7-12/h14-17,20-21,30-31,53H,11-13,18-19H2,1-10H3,(H,49,54);9-12,21-22,34H,6-8,13H2,1-5H3,(H,32,36);8-11,21-22,33-34H,5-7,12-13H2,1-4H3,(H,31,35);1-15H;7-8H,1-6H3,(H,16,17,18,19);3-6H,1-2H3;8-9,15,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyOZYWEPFLUGOACA-UHFFFAOYSA-N
MW3109.15 g/mol
LogP26.41
Rot. Bonds33

About tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane

tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane (PubChem CID 167639826) has the molecular formula C150H180F17N22O29P and a molecular weight of 3109.15 g/mol. Its IUPAC name is tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane.

Molecular Properties

Compound Nametert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane
PubChem CID167639826
Molecular FormulaC150H180F17N22O29P
Molecular Weight3109.15 g/mol
Exact Mass3107.28
IUPAC Nametert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2nc[nH]c12.CC(C)(C)OC(=O)NC1(C(O)C(F)F)CCCNC1.COC(=O)c1cc(-c2cc(F)c(OC)cc2F)ncc1F.COC(=O)c1cc(-c2cc(F)c(OC)cc2F)ncc1N1CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C1.COc1cc(F)c(-c2cc(CO)c(N3CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C3)cn2)cc1F.COc1cc(F)c(-c2cc(Cn3cnc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc43)c(N3CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C3)cn2)cc1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C40H50F4N8O8.C26H31F4N3O6.C25H31F4N3O5.C18H15P.C15H21N5O4.C14H10F3NO3.C12H22F2N2O3/c1-37(2,3)58-34(54)49-40(30(53)31(43)44)12-11-13-50(19-40)27-17-45-26(23-15-25(42)28(57-10)16-24(23)41)14-22(27)18-51-21-48-29-32(51)46-20-47-33(29)52(35(55)59-38(4,5)6)36(56)60-39(7,8)9;1-25(2,3)39-24(36)32-26(21(34)22(29)30)7-6-8-33(13-26)19-12-31-18(10-15(19)23(35)38-5)14-9-17(28)20(37-4)11-16(14)27;1-24(2,3)37-23(35)31-25(21(34)22(28)29)6-5-7-32(13-25)19-11-30-18(8-14(19)12-33)15-9-17(27)20(36-4)10-16(15)26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,3)23-12(21)20(13(22)24-15(4,5)6)11-9-10(17-7-16-9)18-8-19-11;1-20-13-5-9(15)7(3-10(13)16)12-4-8(14(19)21-2)11(17)6-18-12;1-11(2,3)19-10(18)16-12(8(17)9(13)14)5-4-6-15-7-12/h14-17,20-21,30-31,53H,11-13,18-19H2,1-10H3,(H,49,54);9-12,21-22,34H,6-8,13H2,1-5H3,(H,32,36);8-11,21-22,33-34H,5-7,12-13H2,1-4H3,(H,31,35);1-15H;7-8H,1-6H3,(H,16,17,18,19);3-6H,1-2H3;8-9,15,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyOZYWEPFLUGOACA-UHFFFAOYSA-N
XLogP26.41
TPSA627.04 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003109.15
LogP ≤ 526.41
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane?
The IUPAC name of tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane (CID 167639826) is tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane.
What is the SMILES notation for tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane?
The canonical SMILES for tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2nc[nH]c12.CC(C)(C)OC(=O)NC1(C(O)C(F)F)CCCNC1.COC(=O)c1cc(-c2cc(F)c(OC)cc2F)ncc1F.COC(=O)c1cc(-c2cc(F)c(OC)cc2F)ncc1N1CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C1.COc1cc(F)c(-c2cc(CO)c(N3CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C3)cn2)cc1F.COc1cc(F)c(-c2cc(Cn3cnc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc43)c(N3CCCC(NC(=O)OC(C)(C)C)(C(O)C(F)F)C3)cn2)cc1F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane?
The InChIKey is OZYWEPFLUGOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50F4N8O8.C26H31F4N3O6.C25H31F4N3O5.C18H15P.C15H21N5O4.C14H10F3NO3.C12H22F2N2O3/c1-37(2,3)58-34(54)49-40(30(53)31(43)44)12-11-13-50(19-40)27-17-45-26(23-15-25(42)28(57-10)16-24(23)41)14-22(27)18-51-21-48-29-32(51)46-20-47-33(29)52(35(55)59-38(4,5)6)36(56)60-39(7,8)9;1-25(2,3)39-24(36)32-26(21(34)22(29)30)7-6-8-33(13-26)19-12-31-18(10-15(19)23(35)38-5)14-9-17(28)20(37-4)11-16(14)27;1-24(2,3)37-23(35)31-25(21(34)22(28)29)6-5-7-32(13-25)19-11-30-18(8-14(19)12-33)15-9-17(27)20(36-4)10-16(15)26;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,3)23-12(21)20(13(22)24-15(4,5)6)11-9-10(17-7-16-9)18-8-19-11;1-20-13-5-9(15)7(3-10(13)16)12-4-8(14(19)21-2)11(17)6-18-12;1-11(2,3)19-10(18)16-12(8(17)9(13)14)5-4-6-15-7-12/h14-17,20-21,30-31,53H,11-13,18-19H2,1-10H3,(H,49,54);9-12,21-22,34H,6-8,13H2,1-5H3,(H,32,36);8-11,21-22,33-34H,5-7,12-13H2,1-4H3,(H,31,35);1-15H;7-8H,1-6H3,(H,16,17,18,19);3-6H,1-2H3;8-9,15,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane?
tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane has a molecular weight of 3109.15 g/mol, XLogP of 26.41, 33 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)-1-[6-(2,5-difluoro-4-methoxyphenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[9-[[5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-(2,2-difluoro-1-hydroxyethyl)piperidin-3-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl 5-[3-(2,2-difluoro-1-hydroxyethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)pyridine-4-carboxylate;methyl 2-(2,5-difluoro-4-methoxyphenyl)-5-fluoropyridine-4-carboxylate;triphenylphosphane is sourced from PubChem (CID 167639826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).