N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C178H190F8N36O12S2 — CID 160995447

IUPACN-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1ccccc1F.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5ccccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5cccs5)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5c(F)cccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5ccccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5cccs5)C4)cc23)ccn1
InChIInChI=1S/C31H31F3N6O2.C31H32F2N6O2.C31H35FN6O2.C29H31FN6O2S.C29H31FN6O2.C27H30N6O2S/c1-18-12-19(10-11-35-18)28-22-13-20(6-8-26(22)37-38-28)29(41)36-21-7-9-27(30(42)40-16-31(2,34)17-40)39(14-21)15-23-24(32)4-3-5-25(23)33;1-19-13-20(11-12-34-19)28-24-14-21(7-9-26(24)36-37-28)29(40)35-23-8-10-27(30(41)39-17-31(2,33)18-39)38(16-23)15-22-5-3-4-6-25(22)32;1-4-37(5-2)31(40)28-13-11-24(19-38(28)18-23-8-6-7-9-26(23)32)34-30(39)22-10-12-27-25(17-22)29(36-35-27)21-14-15-33-20(3)16-21;1-18-12-19(9-10-31-18)26-23-13-20(5-7-24(23)33-34-26)27(37)32-21-6-8-25(28(38)36-16-29(2,30)17-36)35(14-21)15-22-4-3-11-39-22;1-18-14-19(12-13-31-18)27-23-15-20(8-10-25(23)33-34-27)28(37)32-22-9-11-26(29(38)35(2)3)36(17-22)16-21-6-4-5-7-24(21)30;1-17-13-18(10-11-28-17)25-22-14-19(6-8-23(22)30-31-25)26(34)29-20-7-9-24(27(35)32(2)3)33(15-20)16-21-5-4-12-36-21/h3-6,8,10-13,21,27H,7,9,14-17H2,1-2H3,(H,36,41)(H,37,38);3-7,9,11-14,23,27H,8,10,15-18H2,1-2H3,(H,35,40)(H,36,37);6-10,12,14-17,24,28H,4-5,11,13,18-19H2,1-3H3,(H,34,39)(H,35,36);3-5,7,9-13,21,25H,6,8,14-17H2,1-2H3,(H,32,37)(H,33,34);4-8,10,12-15,22,26H,9,11,16-17H2,1-3H3,(H,32,37)(H,33,34);4-6,8,10-14,20,24H,7,9,15-16H2,1-3H3,(H,29,34)(H,30,31)/t21-,27+;23-,27+;24-,28+;21-,25+;22-,26+;20-,24+/m111111/s1
InChIKeyTVEKSGWEKQDHLK-JCSPTQHGSA-N
MW3241.84 g/mol
LogP25.75
Rot. Bonds38

About N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 160995447) has the molecular formula C178H190F8N36O12S2 and a molecular weight of 3241.84 g/mol. Its IUPAC name is N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID160995447
Molecular FormulaC178H190F8N36O12S2
Molecular Weight3241.84 g/mol
Exact Mass3239.47
IUPAC NameN-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1ccccc1F.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5ccccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5cccs5)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5c(F)cccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5ccccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5cccs5)C4)cc23)ccn1
InChIInChI=1S/C31H31F3N6O2.C31H32F2N6O2.C31H35FN6O2.C29H31FN6O2S.C29H31FN6O2.C27H30N6O2S/c1-18-12-19(10-11-35-18)28-22-13-20(6-8-26(22)37-38-28)29(41)36-21-7-9-27(30(42)40-16-31(2,34)17-40)39(14-21)15-23-24(32)4-3-5-25(23)33;1-19-13-20(11-12-34-19)28-24-14-21(7-9-26(24)36-37-28)29(40)35-23-8-10-27(30(41)39-17-31(2,33)18-39)38(16-23)15-22-5-3-4-6-25(22)32;1-4-37(5-2)31(40)28-13-11-24(19-38(28)18-23-8-6-7-9-26(23)32)34-30(39)22-10-12-27-25(17-22)29(36-35-27)21-14-15-33-20(3)16-21;1-18-12-19(9-10-31-18)26-23-13-20(5-7-24(23)33-34-26)27(37)32-21-6-8-25(28(38)36-16-29(2,30)17-36)35(14-21)15-22-4-3-11-39-22;1-18-14-19(12-13-31-18)27-23-15-20(8-10-25(23)33-34-27)28(37)32-22-9-11-26(29(38)35(2)3)36(17-22)16-21-6-4-5-7-24(21)30;1-17-13-18(10-11-28-17)25-22-14-19(6-8-23(22)30-31-25)26(34)29-20-7-9-24(27(35)32(2)3)33(15-20)16-21-5-4-12-36-21/h3-6,8,10-13,21,27H,7,9,14-17H2,1-2H3,(H,36,41)(H,37,38);3-7,9,11-14,23,27H,8,10,15-18H2,1-2H3,(H,35,40)(H,36,37);6-10,12,14-17,24,28H,4-5,11,13,18-19H2,1-3H3,(H,34,39)(H,35,36);3-5,7,9-13,21,25H,6,8,14-17H2,1-2H3,(H,32,37)(H,33,34);4-8,10,12-15,22,26H,9,11,16-17H2,1-3H3,(H,32,37)(H,33,34);4-6,8,10-14,20,24H,7,9,15-16H2,1-3H3,(H,29,34)(H,30,31)/t21-,27+;23-,27+;24-,28+;21-,25+;22-,26+;20-,24+/m111111/s1
InChIKeyTVEKSGWEKQDHLK-JCSPTQHGSA-N
XLogP25.75
TPSA565.32 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003241.84
LogP ≤ 525.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 160995447) is N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1ccccc1F.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5ccccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5cccs5)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5c(F)cccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5ccccc5F)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(Cc5cccs5)C4)cc23)ccn1.
What is the InChIKey of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is TVEKSGWEKQDHLK-JCSPTQHGSA-N. The full InChI is InChI=1S/C31H31F3N6O2.C31H32F2N6O2.C31H35FN6O2.C29H31FN6O2S.C29H31FN6O2.C27H30N6O2S/c1-18-12-19(10-11-35-18)28-22-13-20(6-8-26(22)37-38-28)29(41)36-21-7-9-27(30(42)40-16-31(2,34)17-40)39(14-21)15-23-24(32)4-3-5-25(23)33;1-19-13-20(11-12-34-19)28-24-14-21(7-9-26(24)36-37-28)29(40)35-23-8-10-27(30(41)39-17-31(2,33)18-39)38(16-23)15-22-5-3-4-6-25(22)32;1-4-37(5-2)31(40)28-13-11-24(19-38(28)18-23-8-6-7-9-26(23)32)34-30(39)22-10-12-27-25(17-22)29(36-35-27)21-14-15-33-20(3)16-21;1-18-12-19(9-10-31-18)26-23-13-20(5-7-24(23)33-34-26)27(37)32-21-6-8-25(28(38)36-16-29(2,30)17-36)35(14-21)15-22-4-3-11-39-22;1-18-14-19(12-13-31-18)27-23-15-20(8-10-25(23)33-34-27)28(37)32-22-9-11-26(29(38)35(2)3)36(17-22)16-21-6-4-5-7-24(21)30;1-17-13-18(10-11-28-17)25-22-14-19(6-8-23(22)30-31-25)26(34)29-20-7-9-24(27(35)32(2)3)33(15-20)16-21-5-4-12-36-21/h3-6,8,10-13,21,27H,7,9,14-17H2,1-2H3,(H,36,41)(H,37,38);3-7,9,11-14,23,27H,8,10,15-18H2,1-2H3,(H,35,40)(H,36,37);6-10,12,14-17,24,28H,4-5,11,13,18-19H2,1-3H3,(H,34,39)(H,35,36);3-5,7,9-13,21,25H,6,8,14-17H2,1-2H3,(H,32,37)(H,33,34);4-8,10,12-15,22,26H,9,11,16-17H2,1-3H3,(H,32,37)(H,33,34);4-6,8,10-14,20,24H,7,9,15-16H2,1-3H3,(H,29,34)(H,30,31)/t21-,27+;23-,27+;24-,28+;21-,25+;22-,26+;20-,24+/m111111/s1.
What are the key properties of N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 3241.84 g/mol, XLogP of 25.75, 38 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2,6-difluorophenyl)methyl]-6-(3-fluoro-3-methylazetidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 160995447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).