3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole

C113H106F5N27O2S2 — CID 157445980

IUPAC3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2C)C1.Cc1nc2ccc(-c3n[nH]c4ccc(-c5n[nH]c([C@@H]6CCCN(Cc7cccs7)C6)n5)cc34)cc2s1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)n[nH]2)C1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccnc(C6CC6)c5)c4c3)n[nH]2)C1
InChIInChI=1S/C29H27F2N7.C29H26F2N6O.C28H28FN7O.C27H25N7S2/c30-23-4-1-5-24(31)22(23)16-38-12-2-3-20(15-38)29-33-28(36-37-29)19-8-9-25-21(13-19)27(35-34-25)18-10-11-32-26(14-18)17-6-7-17;30-23-4-1-5-24(31)22(23)16-37-11-2-3-20(15-37)29-32-28(35-36-29)19-6-8-25-21(14-19)27(34-33-25)18-7-9-26-17(13-18)10-12-38-26;1-35-28(20-5-4-14-36(16-20)17-22-23(29)6-3-7-25(22)37-2)31-27(34-35)19-8-9-24-21(15-19)26(33-32-24)18-10-12-30-13-11-18;1-16-28-23-9-6-17(13-24(23)36-16)25-21-12-18(7-8-22(21)30-31-25)26-29-27(33-32-26)19-4-2-10-34(14-19)15-20-5-3-11-35-20/h1,4-5,8-11,13-14,17,20H,2-3,6-7,12,15-16H2,(H,34,35)(H,33,36,37);1,4-9,13-14,20H,2-3,10-12,15-16H2,(H,33,34)(H,32,35,36);3,6-13,15,20H,4-5,14,16-17H2,1-2H3,(H,32,33);3,5-9,11-13,19H,2,4,10,14-15H2,1H3,(H,30,31)(H,29,32,33)/t3*20-;19-/m1111/s1
InChIKeyBSFMITPMFPNWMW-OHKAOHDWSA-N
MW2033.40 g/mol
LogP22.87
Rot. Bonds22

About 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole

3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole (PubChem CID 157445980) has the molecular formula C113H106F5N27O2S2 and a molecular weight of 2033.40 g/mol. Its IUPAC name is 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole
PubChem CID157445980
Molecular FormulaC113H106F5N27O2S2
Molecular Weight2033.40 g/mol
Exact Mass2031.84
IUPAC Name3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2C)C1.Cc1nc2ccc(-c3n[nH]c4ccc(-c5n[nH]c([C@@H]6CCCN(Cc7cccs7)C6)n5)cc34)cc2s1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)n[nH]2)C1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccnc(C6CC6)c5)c4c3)n[nH]2)C1
InChIInChI=1S/C29H27F2N7.C29H26F2N6O.C28H28FN7O.C27H25N7S2/c30-23-4-1-5-24(31)22(23)16-38-12-2-3-20(15-38)29-33-28(36-37-29)19-8-9-25-21(13-19)27(35-34-25)18-10-11-32-26(14-18)17-6-7-17;30-23-4-1-5-24(31)22(23)16-37-11-2-3-20(15-37)29-32-28(35-36-29)19-6-8-25-21(14-19)27(34-33-25)18-7-9-26-17(13-18)10-12-38-26;1-35-28(20-5-4-14-36(16-20)17-22-23(29)6-3-7-25(22)37-2)31-27(34-35)19-8-9-24-21(15-19)26(33-32-24)18-10-12-30-13-11-18;1-16-28-23-9-6-17(13-24(23)36-16)25-21-12-18(7-8-22(21)30-31-25)26-29-27(33-32-26)19-4-2-10-34(14-19)15-20-5-3-11-35-20/h1,4-5,8-11,13-14,17,20H,2-3,6-7,12,15-16H2,(H,34,35)(H,33,36,37);1,4-9,13-14,20H,2-3,10-12,15-16H2,(H,33,34)(H,32,35,36);3,6-13,15,20H,4-5,14,16-17H2,1-2H3,(H,32,33);3,5-9,11-13,19H,2,4,10,14-15H2,1H3,(H,30,31)(H,29,32,33)/t3*20-;19-/m1111/s1
InChIKeyBSFMITPMFPNWMW-OHKAOHDWSA-N
XLogP22.87
TPSA340.23 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002033.40
LogP ≤ 522.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole with MolForge

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Related Compounds

CID 157335544
CID 157335544
2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine
CID 157837412
7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
CID 160600062
CID 160600062
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[3-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 161508256
3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-2-methyl-1,3-thiazole;4-[2-methoxy-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 162191107
N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]indazol-1-amine;N-(4-cyclopropylpyrazol-1-yl)-2-[(3-fluorophenyl)methoxy]-6-methylpyrimidin-4-amine;6-[(dimethylamino)methyl]-N-(4-ethylpyrazol-1-yl)-2-thiophen-2-ylpyrimidin-4-amine
CID 157338141
2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 157514244
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine;4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 157562322
N-[2-(1,3-benzothiazol-6-yloxy)-6-(3-methylphenyl)pyrimidin-4-yl]indazol-1-amine;N-(4-cyclopropylpyrazol-1-yl)-2-[(3-fluorophenyl)methoxy]-6-methylpyrimidin-4-amine;4-[7-[2-(dimethylamino)ethoxy]-4-(indazol-1-ylamino)quinazolin-2-yl]oxybenzonitrile;6-[(dimethylamino)methyl]-N-(4-ethylpyrazol-1-yl)-2-thiophen-2-ylpyrimidin-4-amine;N-indazol-1-yl-2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 157612702
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 158012210
2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158048017

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole?
The IUPAC name of 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole (CID 157445980) is 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole?
The canonical SMILES for 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole is COc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2C)C1.Cc1nc2ccc(-c3n[nH]c4ccc(-c5n[nH]c([C@@H]6CCCN(Cc7cccs7)C6)n5)cc34)cc2s1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)n[nH]2)C1.Fc1cccc(F)c1CN1CCC[C@@H](c2nc(-c3ccc4[nH]nc(-c5ccnc(C6CC6)c5)c4c3)n[nH]2)C1.
What is the InChIKey of 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole?
The InChIKey is BSFMITPMFPNWMW-OHKAOHDWSA-N. The full InChI is InChI=1S/C29H27F2N7.C29H26F2N6O.C28H28FN7O.C27H25N7S2/c30-23-4-1-5-24(31)22(23)16-38-12-2-3-20(15-38)29-33-28(36-37-29)19-8-9-25-21(13-19)27(35-34-25)18-10-11-32-26(14-18)17-6-7-17;30-23-4-1-5-24(31)22(23)16-37-11-2-3-20(15-37)29-32-28(35-36-29)19-6-8-25-21(14-19)27(34-33-25)18-7-9-26-17(13-18)10-12-38-26;1-35-28(20-5-4-14-36(16-20)17-22-23(29)6-3-7-25(22)37-2)31-27(34-35)19-8-9-24-21(15-19)26(33-32-24)18-10-12-30-13-11-18;1-16-28-23-9-6-17(13-24(23)36-16)25-21-12-18(7-8-22(21)30-31-25)26-29-27(33-32-26)19-4-2-10-34(14-19)15-20-5-3-11-35-20/h1,4-5,8-11,13-14,17,20H,2-3,6-7,12,15-16H2,(H,34,35)(H,33,36,37);1,4-9,13-14,20H,2-3,10-12,15-16H2,(H,33,34)(H,32,35,36);3,6-13,15,20H,4-5,14,16-17H2,1-2H3,(H,32,33);3,5-9,11-13,19H,2,4,10,14-15H2,1H3,(H,30,31)(H,29,32,33)/t3*20-;19-/m1111/s1.
What are the key properties of 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole?
3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole has a molecular weight of 2033.40 g/mol, XLogP of 22.87, 22 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-4-pyridinyl)-5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazole;5-[5-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole;5-[5-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-methyl-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-indazole;2-methyl-6-[5-[5-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 157445980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).