3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide

C190H218F5N19O29 — CID 165099649

IUPAC3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide
SMILESCCCOc1cc(-c2cc(NC(=O)c3ccc4c(c3)CC4)ccc2C)cc(N2CCOCC2)n1.CCCOc1cc(-c2cc(NC(=O)c3ccc4c(c3)OC(C)(F)O4)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(F)CC3)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(F)CO3)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCC3(C)F)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc3c(c2)CCC3(C)F)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1
InChIInChI=1S/2C34H40FN3O5.C33H39FN4O5.C33H38FN3O6.C28H30FN3O5.C28H31N3O3/c1-23-6-9-27(36-33(39)25-8-7-24-10-11-34(2,35)29(24)19-25)22-28(23)26-20-30(38-12-15-40-16-13-38)37-31(21-26)41-17-18-43-32-5-3-4-14-42-32;1-23-6-8-27(36-33(39)25-7-9-29-24(19-25)10-11-34(29,2)35)22-28(23)26-20-30(38-12-15-40-16-13-38)37-31(21-26)41-17-18-43-32-5-3-4-14-42-32;1-22-6-7-26(36-32(39)25-17-23-8-9-33(2,34)31(23)35-21-25)20-27(22)24-18-28(38-10-13-40-14-11-38)37-29(19-24)41-15-16-43-30-5-3-4-12-42-30;1-22-6-8-25(35-32(38)23-7-9-28-27(17-23)33(2,34)21-43-28)20-26(22)24-18-29(37-10-13-39-14-11-37)36-30(19-24)40-15-16-42-31-5-3-4-12-41-31;1-4-11-35-26-16-20(15-25(31-26)32-9-12-34-13-10-32)22-17-21(7-5-18(22)2)30-27(33)19-6-8-23-24(14-19)37-28(3,29)36-23;1-3-12-34-27-17-23(16-26(30-27)31-10-13-33-14-11-31)25-18-24(9-4-19(25)2)29-28(32)22-8-6-20-5-7-21(20)15-22/h2*6-9,19-22,32H,3-5,10-18H2,1-2H3,(H,36,39);6-7,17-21,30H,3-5,8-16H2,1-2H3,(H,36,39);6-9,17-20,31H,3-5,10-16,21H2,1-2H3,(H,35,38);5-8,14-17H,4,9-13H2,1-3H3,(H,30,33);4,6,8-9,15-18H,3,5,7,10-14H2,1-2H3,(H,29,32)
InChIKeyYCLPHDNSDBZZSH-UHFFFAOYSA-N
MW3326.93 g/mol
LogP34.02
Rot. Bonds50

About 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide

3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide (PubChem CID 165099649) has the molecular formula C190H218F5N19O29 and a molecular weight of 3326.93 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide
PubChem CID165099649
Molecular FormulaC190H218F5N19O29
Molecular Weight3326.93 g/mol
Exact Mass3324.61
IUPAC Name3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide
SMILESCCCOc1cc(-c2cc(NC(=O)c3ccc4c(c3)CC4)ccc2C)cc(N2CCOCC2)n1.CCCOc1cc(-c2cc(NC(=O)c3ccc4c(c3)OC(C)(F)O4)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(F)CC3)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(F)CO3)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCC3(C)F)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc3c(c2)CCC3(C)F)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1
InChIInChI=1S/2C34H40FN3O5.C33H39FN4O5.C33H38FN3O6.C28H30FN3O5.C28H31N3O3/c1-23-6-9-27(36-33(39)25-8-7-24-10-11-34(2,35)29(24)19-25)22-28(23)26-20-30(38-12-15-40-16-13-38)37-31(21-26)41-17-18-43-32-5-3-4-14-42-32;1-23-6-8-27(36-33(39)25-7-9-29-24(19-25)10-11-34(29,2)35)22-28(23)26-20-30(38-12-15-40-16-13-38)37-31(21-26)41-17-18-43-32-5-3-4-14-42-32;1-22-6-7-26(36-32(39)25-17-23-8-9-33(2,34)31(23)35-21-25)20-27(22)24-18-28(38-10-13-40-14-11-38)37-29(19-24)41-15-16-43-30-5-3-4-12-42-30;1-22-6-8-25(35-32(38)23-7-9-28-27(17-23)33(2,34)21-43-28)20-26(22)24-18-29(37-10-13-39-14-11-37)36-30(19-24)40-15-16-42-31-5-3-4-12-41-31;1-4-11-35-26-16-20(15-25(31-26)32-9-12-34-13-10-32)22-17-21(7-5-18(22)2)30-27(33)19-6-8-23-24(14-19)37-28(3,29)36-23;1-3-12-34-27-17-23(16-26(30-27)31-10-13-33-14-11-31)25-18-24(9-4-19(25)2)29-28(32)22-8-6-20-5-7-21(20)15-22/h2*6-9,19-22,32H,3-5,10-18H2,1-2H3,(H,36,39);6-7,17-21,30H,3-5,8-16H2,1-2H3,(H,36,39);6-9,17-20,31H,3-5,10-16,21H2,1-2H3,(H,35,38);5-8,14-17H,4,9-13H2,1-3H3,(H,30,33);4,6,8-9,15-18H,3,5,7,10-14H2,1-2H3,(H,29,32)
InChIKeyYCLPHDNSDBZZSH-UHFFFAOYSA-N
XLogP34.02
TPSA496.56 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds50
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003326.93
LogP ≤ 534.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide (CID 165099649) is 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide is CCCOc1cc(-c2cc(NC(=O)c3ccc4c(c3)CC4)ccc2C)cc(N2CCOCC2)n1.CCCOc1cc(-c2cc(NC(=O)c3ccc4c(c3)OC(C)(F)O4)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(F)CC3)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)C(C)(F)CO3)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)CCC3(C)F)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc3c(c2)CCC3(C)F)cc1-c1cc(OCCOC2CCCCO2)nc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide?
The InChIKey is YCLPHDNSDBZZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H40FN3O5.C33H39FN4O5.C33H38FN3O6.C28H30FN3O5.C28H31N3O3/c1-23-6-9-27(36-33(39)25-8-7-24-10-11-34(2,35)29(24)19-25)22-28(23)26-20-30(38-12-15-40-16-13-38)37-31(21-26)41-17-18-43-32-5-3-4-14-42-32;1-23-6-8-27(36-33(39)25-7-9-29-24(19-25)10-11-34(29,2)35)22-28(23)26-20-30(38-12-15-40-16-13-38)37-31(21-26)41-17-18-43-32-5-3-4-14-42-32;1-22-6-7-26(36-32(39)25-17-23-8-9-33(2,34)31(23)35-21-25)20-27(22)24-18-28(38-10-13-40-14-11-38)37-29(19-24)41-15-16-43-30-5-3-4-12-42-30;1-22-6-8-25(35-32(38)23-7-9-28-27(17-23)33(2,34)21-43-28)20-26(22)24-18-29(37-10-13-39-14-11-37)36-30(19-24)40-15-16-42-31-5-3-4-12-41-31;1-4-11-35-26-16-20(15-25(31-26)32-9-12-34-13-10-32)22-17-21(7-5-18(22)2)30-27(33)19-6-8-23-24(14-19)37-28(3,29)36-23;1-3-12-34-27-17-23(16-26(30-27)31-10-13-33-14-11-31)25-18-24(9-4-19(25)2)29-28(32)22-8-6-20-5-7-21(20)15-22/h2*6-9,19-22,32H,3-5,10-18H2,1-2H3,(H,36,39);6-7,17-21,30H,3-5,8-16H2,1-2H3,(H,36,39);6-9,17-20,31H,3-5,10-16,21H2,1-2H3,(H,35,38);5-8,14-17H,4,9-13H2,1-3H3,(H,30,33);4,6,8-9,15-18H,3,5,7,10-14H2,1-2H3,(H,29,32).
What are the key properties of 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide?
3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide has a molecular weight of 3326.93 g/mol, XLogP of 34.02, 50 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2H-1-benzofuran-5-carboxamide;7-fluoro-7-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-1-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-2,3-dihydroindene-5-carboxamide;3-fluoro-3-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-1,2-dihydroindene-5-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide is sourced from PubChem (CID 165099649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).