About N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide
N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 161032285) has the molecular formula C159H160F5N31O14S5
and a molecular weight of 2987.58 g/mol. Its IUPAC name is N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide (CID 161032285) is N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide is CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CN1Cc1c(F)cccc1OC.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(=O)N1CC(C)(F)C1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(N)=O.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)Nc5nccs5)N(CCc5ccccc5)C4)cc23)ccn1.[2H]C([2H])([2H])Oc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(N)=O.
What is the InChIKey of N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is TZTWYNGWXNMIES-UHUJZBMJSA-N. The full InChI is InChI=1S/C34H34F2N6O3S.C34H37FN6O3S.C31H31N7O2S.2C30H29FN6O3S/c1-19-37-27-11-7-20(14-30(27)46-19)31-23-13-21(8-10-26(23)39-40-31)32(43)38-22-9-12-28(33(44)42-17-34(2,36)18-42)41(15-22)16-24-25(35)5-4-6-29(24)45-3;1-5-40(6-2)34(43)29-15-12-23(18-41(29)19-25-26(35)8-7-9-30(25)44-4)37-33(42)22-11-13-27-24(16-22)32(39-38-27)21-10-14-28-31(17-21)45-20(3)36-28;1-20-17-22(11-13-32-20)28-25-18-23(7-9-26(25)36-37-28)29(39)34-24-8-10-27(30(40)35-31-33-14-16-41-31)38(19-24)15-12-21-5-3-2-4-6-21;2*1-16-33-24-10-6-17(13-27(24)41-16)28-20-12-18(7-9-23(20)35-36-28)30(39)34-19-8-11-25(29(32)38)37(14-19)15-21-22(31)4-3-5-26(21)40-2/h4-8,10-11,13-14,22,28H,9,12,15-18H2,1-3H3,(H,38,43)(H,39,40);7-11,13-14,16-17,23,29H,5-6,12,15,18-19H2,1-4H3,(H,37,42)(H,38,39);2-7,9,11,13-14,16-18,24,27H,8,10,12,15,19H2,1H3,(H,34,39)(H,36,37)(H,33,35,40);2*3-7,9-10,12-13,19,25H,8,11,14-15H2,1-2H3,(H2,32,38)(H,34,39)(H,35,36)/t22-,28+;23-,29+;24-,27+;2*19-,25+/m11111/s1/i;;;2D3;.
What are the key properties of N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide?
N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 2987.58 g/mol, XLogP of 25.48, 39 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-carbamoyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-carbamoyl-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;3-(2-methyl-4-pyridinyl)-N-[(3R,6S)-1-(2-phenylethyl)-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 161032285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).