About N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate
N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate (PubChem CID 159778948) has the molecular formula C167H143Cl6F5N30O14
and a molecular weight of 3101.88 g/mol. Its IUPAC name is N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate.
Frequently Asked Questions
What is the IUPAC name of N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate?
The IUPAC name of N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate (CID 159778948) is N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate.
What is the SMILES notation for N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate?
The canonical SMILES for N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate is CCC(=O)Nc1ccc2c(c1)NC(=O)CCCCC(c1ccc(-c3cc(Cl)ccc3-n3cnnn3)cn1)c1cc(F)cc-2c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCCC(c1ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)cn1)c1cccc-2c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCCC(c1ccc(-c3cc(Cl)ccc3-n3cc(C(F)F)nn3)cn1)c1cccc-2c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCCC(c1ccc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cn1)c1cccc-2c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCCC(c1ccc(-c3cc(Cl)ccc3-n3cnnn3)cn1)c1cc-2ncc1F.
What is the InChIKey of N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate?
The InChIKey is NHCNOMZQHWTBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClF2N5O3.C34H29Cl2N5O3.C33H29ClFN7O2.C33H28ClFN6O3.C32H27ClFN7O3/c1-46-34(45)16-21-9-12-27-23-6-4-5-22(17-23)26(7-2-3-8-33(44)40-30(27)15-21)29-13-10-24(19-39-29)28-18-25(36)11-14-32(28)43-20-31(35(37)38)41-42-43;1-44-34(43)16-21-9-12-27-23-6-4-5-22(17-23)26(7-2-3-8-33(42)38-30(27)15-21)29-13-10-24(19-37-29)28-18-25(35)11-14-31(28)41-20-32(36)39-40-41;1-2-32(43)38-25-9-10-27-22-13-21(14-24(35)15-22)26(5-3-4-6-33(44)39-30(27)17-25)29-11-7-20(18-36-29)28-16-23(34)8-12-31(28)42-19-37-40-41-42;1-44-31(43)16-20-9-11-25-22-6-4-5-21(17-22)24(7-2-3-8-30(42)38-28(25)15-20)27-13-10-23(18-36-27)32-29(41-19-37-39-40-41)14-12-26(34)33(32)35;1-44-32(43)13-19-6-9-23-28-15-25(26(34)17-36-28)22(4-2-3-5-31(42)38-29(23)12-19)27-10-7-20(16-35-27)24-14-21(33)8-11-30(24)41-18-37-39-40-41/h4-6,9-15,17-20,26,35H,2-3,7-8,16H2,1H3,(H,40,44);4-6,9-15,17-20,26H,2-3,7-8,16H2,1H3,(H,38,42);7-19,26H,2-6H2,1H3,(H,38,43)(H,39,44);4-6,9-15,17-19,24H,2-3,7-8,16H2,1H3,(H,38,42);6-12,14-18,22H,2-5,13H2,1H3,(H,38,42).
What are the key properties of N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate?
N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate has a molecular weight of 3101.88 g/mol, XLogP of 35.27, 26 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-17-fluoro-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]propanamide;methyl 2-[14-[5-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-2-pyridinyl]-9-oxo-8-azatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]acetate;methyl 2-[14-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-pyridinyl]-16-fluoro-9-oxo-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-5-yl]acetate is sourced from PubChem (CID 159778948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).