tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C176H204F5N35O19 — CID 157271290

IUPACtert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESC=C(C)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.C=C(OC)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.C=C(OCC)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1.[2H]C([2H])([2H])Oc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C37H44FN7O5.C36H42FN7O4.C35H40FN7O4.C35H40FN7O3.C33H38FN7O3/c1-23-19-24(13-14-39-23)33-27-20-25(9-11-30(27)41-42-33)34(46)40-26-10-12-31(45(21-26)22-28-29(38)7-6-8-32(28)49-5)35(47)43-15-17-44(18-16-43)36(48)50-37(2,3)4;1-5-48-24(3)42-15-17-43(18-16-42)36(46)32-12-10-27(21-44(32)22-29-30(37)7-6-8-33(29)47-4)39-35(45)26-9-11-31-28(20-26)34(41-40-31)25-13-14-38-23(2)19-25;1-22-18-24(12-13-37-22)33-27-19-25(8-10-30(27)39-40-33)34(44)38-26-9-11-31(35(45)42-16-14-41(15-17-42)23(2)46-3)43(20-26)21-28-29(36)6-5-7-32(28)47-4;1-22(2)41-14-16-42(17-15-41)35(45)31-11-9-26(20-43(31)21-28-29(36)6-5-7-32(28)46-4)38-34(44)25-8-10-30-27(19-25)33(40-39-30)24-12-13-37-23(3)18-24;1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3/h6-9,11,13-14,19-20,26,31H,10,12,15-18,21-22H2,1-5H3,(H,40,46)(H,41,42);6-9,11,13-14,19-20,27,32H,3,5,10,12,15-18,21-22H2,1-2,4H3,(H,39,45)(H,40,41);5-8,10,12-13,18-19,26,31H,2,9,11,14-17,20-21H2,1,3-4H3,(H,38,44)(H,39,40);5-8,10,12-13,18-19,26,31H,1,9,11,14-17,20-21H2,2-4H3,(H,38,44)(H,39,40);4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38)/t26-,31+;27-,32+;2*26-,31+;24-,29+/m11111/s1/i5D3;;;;
InChIKeyAYOLLBCWMWZMOF-ZLQBBPOISA-N
MW3211.80 g/mol
LogP21.66
Rot. Bonds42

About tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 157271290) has the molecular formula C176H204F5N35O19 and a molecular weight of 3211.80 g/mol. Its IUPAC name is tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID157271290
Molecular FormulaC176H204F5N35O19
Molecular Weight3211.80 g/mol
Exact Mass3209.62
IUPAC Nametert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESC=C(C)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.C=C(OC)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.C=C(OCC)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1.[2H]C([2H])([2H])Oc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C37H44FN7O5.C36H42FN7O4.C35H40FN7O4.C35H40FN7O3.C33H38FN7O3/c1-23-19-24(13-14-39-23)33-27-20-25(9-11-30(27)41-42-33)34(46)40-26-10-12-31(45(21-26)22-28-29(38)7-6-8-32(28)49-5)35(47)43-15-17-44(18-16-43)36(48)50-37(2,3)4;1-5-48-24(3)42-15-17-43(18-16-42)36(46)32-12-10-27(21-44(32)22-29-30(37)7-6-8-33(29)47-4)39-35(45)26-9-11-31-28(20-26)34(41-40-31)25-13-14-38-23(2)19-25;1-22-18-24(12-13-37-22)33-27-19-25(8-10-30(27)39-40-33)34(44)38-26-9-11-31(35(45)42-16-14-41(15-17-42)23(2)46-3)43(20-26)21-28-29(36)6-5-7-32(28)47-4;1-22(2)41-14-16-42(17-15-41)35(45)31-11-9-26(20-43(31)21-28-29(36)6-5-7-32(28)46-4)38-34(44)25-8-10-30-27(19-25)33(40-39-30)24-12-13-37-23(3)18-24;1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3/h6-9,11,13-14,19-20,26,31H,10,12,15-18,21-22H2,1-5H3,(H,40,46)(H,41,42);6-9,11,13-14,19-20,27,32H,3,5,10,12,15-18,21-22H2,1-2,4H3,(H,39,45)(H,40,41);5-8,10,12-13,18-19,26,31H,2,9,11,14-17,20-21H2,1,3-4H3,(H,38,44)(H,39,40);5-8,10,12-13,18-19,26,31H,1,9,11,14-17,20-21H2,2-4H3,(H,38,44)(H,39,40);4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38)/t26-,31+;27-,32+;2*26-,31+;24-,29+/m11111/s1/i5D3;;;;
InChIKeyAYOLLBCWMWZMOF-ZLQBBPOISA-N
XLogP21.66
TPSA578.21 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003211.80
LogP ≤ 521.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591155
N-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591179
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(3-hydroxy-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591315
N-[(3R,6S)-6-[cyclopropyl(methyl)carbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591316
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[(1-methylcyclopropyl)carbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591337
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591338
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-hydroxypiperidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591339
N-[(3R,6S)-6-(4,4-difluoropiperidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 56591359
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(pyrrolidine-1-carbonyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 56591360
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(morpholine-4-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591361
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591380
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(hydrazinecarbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 157271290) is tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is C=C(C)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.C=C(OC)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.C=C(OCC)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1.COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C)CC1.[2H]C([2H])([2H])Oc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is AYOLLBCWMWZMOF-ZLQBBPOISA-N. The full InChI is InChI=1S/C37H44FN7O5.C36H42FN7O4.C35H40FN7O4.C35H40FN7O3.C33H38FN7O3/c1-23-19-24(13-14-39-23)33-27-20-25(9-11-30(27)41-42-33)34(46)40-26-10-12-31(45(21-26)22-28-29(38)7-6-8-32(28)49-5)35(47)43-15-17-44(18-16-43)36(48)50-37(2,3)4;1-5-48-24(3)42-15-17-43(18-16-42)36(46)32-12-10-27(21-44(32)22-29-30(37)7-6-8-33(29)47-4)39-35(45)26-9-11-31-28(20-26)34(41-40-31)25-13-14-38-23(2)19-25;1-22-18-24(12-13-37-22)33-27-19-25(8-10-30(27)39-40-33)34(44)38-26-9-11-31(35(45)42-16-14-41(15-17-42)23(2)46-3)43(20-26)21-28-29(36)6-5-7-32(28)47-4;1-22(2)41-14-16-42(17-15-41)35(45)31-11-9-26(20-43(31)21-28-29(36)6-5-7-32(28)46-4)38-34(44)25-8-10-30-27(19-25)33(40-39-30)24-12-13-37-23(3)18-24;1-21-17-22(11-12-35-21)31-25-18-23(7-9-28(25)37-38-31)32(42)36-24-8-10-29(33(43)40-15-13-39(2)14-16-40)41(19-24)20-26-27(34)5-4-6-30(26)44-3/h6-9,11,13-14,19-20,26,31H,10,12,15-18,21-22H2,1-5H3,(H,40,46)(H,41,42);6-9,11,13-14,19-20,27,32H,3,5,10,12,15-18,21-22H2,1-2,4H3,(H,39,45)(H,40,41);5-8,10,12-13,18-19,26,31H,2,9,11,14-17,20-21H2,1,3-4H3,(H,38,44)(H,39,40);5-8,10,12-13,18-19,26,31H,1,9,11,14-17,20-21H2,2-4H3,(H,38,44)(H,39,40);4-7,9,11-12,17-18,24,29H,8,10,13-16,19-20H2,1-3H3,(H,36,42)(H,37,38)/t26-,31+;27-,32+;2*26-,31+;24-,29+/m11111/s1/i5D3;;;;.
What are the key properties of tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 3211.80 g/mol, XLogP of 21.66, 42 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 157271290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).