N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

C127H136F2N26O10S2 — CID 158491798

IUPACN-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1CCc1ccccc1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(=O)N(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)Nc1nccs1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(CCc5ccccc5)C4)cc23)ccn1
InChIInChI=1S/C33H31FN8O3S.C32H33FN6O3S.C32H38N6O2.C30H34N6O2/c1-41-16-21-14-19(6-9-26(21)40-41)30-23-15-20(7-10-27(23)38-39-30)31(43)36-22-8-11-28(32(44)37-33-35-12-13-46-33)42(17-22)18-24-25(34)4-3-5-29(24)45-2;1-18-34-26-12-8-19(15-29(26)43-18)30-22-14-20(9-11-25(22)36-37-30)31(40)35-21-10-13-27(32(41)38(2)3)39(16-21)17-23-24(33)6-5-7-28(23)42-4;1-4-37(5-2)32(40)29-14-12-26(21-38(29)18-16-23-9-7-6-8-10-23)34-31(39)25-11-13-28-27(20-25)30(36-35-28)24-15-17-33-22(3)19-24;1-20-17-22(13-15-31-20)28-25-18-23(9-11-26(25)33-34-28)29(37)32-24-10-12-27(30(38)35(2)3)36(19-24)16-14-21-7-5-4-6-8-21/h3-7,9-10,12-16,22,28H,8,11,17-18H2,1-2H3,(H,36,43)(H,38,39)(H,35,37,44);5-9,11-12,14-15,21,27H,10,13,16-17H2,1-4H3,(H,35,40)(H,36,37);6-11,13,15,17,19-20,26,29H,4-5,12,14,16,18,21H2,1-3H3,(H,34,39)(H,35,36);4-9,11,13,15,17-18,24,27H,10,12,14,16,19H2,1-3H3,(H,32,37)(H,33,34)/t22-,28+;21-,27+;26-,29+;24-,27+/m1111/s1
InChIKeyHIUDEBPFFJGSGN-RAKKHZGZSA-N
MW2288.79 g/mol
LogP18.70
Rot. Bonds31

About N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (PubChem CID 158491798) has the molecular formula C127H136F2N26O10S2 and a molecular weight of 2288.79 g/mol. Its IUPAC name is N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
PubChem CID158491798
Molecular FormulaC127H136F2N26O10S2
Molecular Weight2288.79 g/mol
Exact Mass2287.03
IUPAC NameN-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1CCc1ccccc1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(=O)N(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)Nc1nccs1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(CCc5ccccc5)C4)cc23)ccn1
InChIInChI=1S/C33H31FN8O3S.C32H33FN6O3S.C32H38N6O2.C30H34N6O2/c1-41-16-21-14-19(6-9-26(21)40-41)30-23-15-20(7-10-27(23)38-39-30)31(43)36-22-8-11-28(32(44)37-33-35-12-13-46-33)42(17-22)18-24-25(34)4-3-5-29(24)45-2;1-18-34-26-12-8-19(15-29(26)43-18)30-22-14-20(9-11-25(22)36-37-30)31(40)35-21-10-13-27(32(41)38(2)3)39(16-21)17-23-24(33)6-5-7-28(23)42-4;1-4-37(5-2)32(40)29-14-12-26(21-38(29)18-16-23-9-7-6-8-10-23)34-31(39)25-11-13-28-27(20-25)30(36-35-28)24-15-17-33-22(3)19-24;1-20-17-22(13-15-31-20)28-25-18-23(9-11-26(25)33-34-28)29(37)32-24-10-12-27(30(38)35(2)3)36(19-24)16-14-21-7-5-4-6-8-21/h3-7,9-10,12-16,22,28H,8,11,17-18H2,1-2H3,(H,36,43)(H,38,39)(H,35,37,44);5-9,11-12,14-15,21,27H,10,13,16-17H2,1-4H3,(H,35,40)(H,36,37);6-11,13,15,17,19-20,26,29H,4-5,12,14,16,18,21H2,1-3H3,(H,34,39)(H,35,36);4-9,11,13,15,17-18,24,27H,10,12,14,16,19H2,1-3H3,(H,32,37)(H,33,34)/t22-,28+;21-,27+;26-,29+;24-,27+/m1111/s1
InChIKeyHIUDEBPFFJGSGN-RAKKHZGZSA-N
XLogP18.70
TPSA421.95 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002288.79
LogP ≤ 518.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970865
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 88875644
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 89499231
N-[[1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]methylidene]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 144301860
[7-(2-amino-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-fluoro-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 157605310
CID 158268952
CID 158268952
(2R)-1-[2-(2-acetamido-1,3-benzothiazol-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(2-amino-1,3-benzothiazol-6-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;N-ethyl-4-[5-fluoro-4-[[2-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;(2R)-1-[5-fluoro-2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-(5-fluoro-2-quinolin-6-ylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 158300123
1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;2-[(3S)-1-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-(2-fluoro-2-phenylpropyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;N-[1-[2-(3-methylphenyl)ethyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[1-(2-naphthalen-1-ylethyl)azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 158416048
N-[(3R)-1-(1-benzofuran-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;2-[(3S)-1-benzylpiperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[(1S,2S,5S)-8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158461708
N-[(3R,6S)-6-(benzylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6R)-6-(benzylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3R)-5,5-difluoro-1-[(2-fluoro-6-hydroxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R)-1-[(2,6-difluorophenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-1-[(2-fluoro-6-hydroxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-(2-methyl-1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]ethanone;methane
CID 158706433
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(hydroxymethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159009277

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide (CID 158491798) is N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1CCc1ccccc1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(=O)N(C)C.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)Nc1nccs1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(CCc5ccccc5)C4)cc23)ccn1.
What is the InChIKey of N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is HIUDEBPFFJGSGN-RAKKHZGZSA-N. The full InChI is InChI=1S/C33H31FN8O3S.C32H33FN6O3S.C32H38N6O2.C30H34N6O2/c1-41-16-21-14-19(6-9-26(21)40-41)30-23-15-20(7-10-27(23)38-39-30)31(43)36-22-8-11-28(32(44)37-33-35-12-13-46-33)42(17-22)18-24-25(34)4-3-5-29(24)45-2;1-18-34-26-12-8-19(15-29(26)43-18)30-22-14-20(9-11-25(22)36-37-30)31(40)35-21-10-13-27(32(41)38(2)3)39(16-21)17-23-24(33)6-5-7-28(23)42-4;1-4-37(5-2)32(40)29-14-12-26(21-38(29)18-16-23-9-7-6-8-10-23)34-31(39)25-11-13-28-27(20-25)30(36-35-28)24-15-17-33-22(3)19-24;1-20-17-22(13-15-31-20)28-25-18-23(9-11-26(25)33-34-28)29(37)32-24-10-12-27(30(38)35(2)3)36(19-24)16-14-21-7-5-4-6-8-21/h3-7,9-10,12-16,22,28H,8,11,17-18H2,1-2H3,(H,36,43)(H,38,39)(H,35,37,44);5-9,11-12,14-15,21,27H,10,13,16-17H2,1-4H3,(H,35,40)(H,36,37);6-11,13,15,17,19-20,26,29H,4-5,12,14,16,18,21H2,1-3H3,(H,34,39)(H,35,36);4-9,11,13,15,17-18,24,27H,10,12,14,16,19H2,1-3H3,(H,32,37)(H,33,34)/t22-,28+;21-,27+;26-,29+;24-,27+/m1111/s1.
What are the key properties of N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide?
N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 2288.79 g/mol, XLogP of 18.70, 31 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-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-(dimethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(1,3-thiazol-2-ylcarbamoyl)piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 158491798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).