About N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide
N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide (PubChem CID 158910623) has the molecular formula C101H92F4N14O9S3
and a molecular weight of 1818.13 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide?
The IUPAC name of N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide (CID 158910623) is N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)C3CCc4cc(C(=O)NC5CC5)sc4-c4ccccc43)c(F)c2)c(N2CC(F)(F)C2)nn1.Cc1cc(C(=O)Nc2ccc(C(=O)C3CCc4cc(C(=O)NC5CC5)sc4-c4ccccc43)cc2)c(N2CCCC2)nn1.O=C(NC1CC1)c1cc2c(s1)-c1ccccc1C(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1F)CC2.
What is the InChIKey of N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide?
The InChIKey is JGPDKPCPNALJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O3S.C34H33N5O3S.C33H28F3N5O3S/c35-28-19-22(38-33(41)27-8-5-15-36-32(27)39-16-3-4-17-39)12-14-26(28)30(40)24-13-9-20-18-29(34(42)37-21-10-11-21)43-31(20)25-7-2-1-6-23(24)25;1-20-18-28(32(38-37-20)39-16-4-5-17-39)33(41)35-23-11-8-21(9-12-23)30(40)26-15-10-22-19-29(34(42)36-24-13-14-24)43-31(22)27-7-3-2-6-25(26)27;1-17-12-25(30(40-39-17)41-15-33(35,36)16-41)31(43)38-20-9-11-24(26(34)14-20)28(42)22-10-6-18-13-27(32(44)37-19-7-8-19)45-29(18)23-5-3-2-4-21(22)23/h1-2,5-8,12,14-15,18-19,21,24H,3-4,9-11,13,16-17H2,(H,37,42)(H,38,41);2-3,6-9,11-12,18-19,24,26H,4-5,10,13-17H2,1H3,(H,35,41)(H,36,42);2-5,9,11-14,19,22H,6-8,10,15-16H2,1H3,(H,37,44)(H,38,43).
What are the key properties of N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide?
N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide has a molecular weight of 1818.13 g/mol, XLogP of 18.94, 21 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-3-(3,3-difluoroazetidin-1-yl)-6-methylpyridazine-4-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]-3-fluorophenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;N-[4-[4-(cyclopropylcarbamoyl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-9-carbonyl]phenyl]-6-methyl-3-pyrrolidin-1-ylpyridazine-4-carboxamide is sourced from PubChem (CID 158910623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).