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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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

C130H134F5N25O10S3 — CID 159804393

About 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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-(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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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 159804393) has the molecular formula C130H134F5N25O10S3 and a molecular weight of 2397.86 g/mol. Its IUPAC name is 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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.

Molecular Properties

• Compound Name: 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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: 159804393
• Molecular Formula: C130H134F5N25O10S3
• Molecular Weight: 2397.86 g/mol
• Exact Mass: 2395.98
• IUPAC Name: 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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
• SMILES: 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(F)(F)C1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(CCc5ccccc5)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)Nc5nccs5)N(CCc5ccccc5)C4)cc23)ccn1
• InChI: InChI=1S/C34H37FN6O3S.C33H31F3N6O3S.C32H35FN6O2.C31H31N7O2S/c1-5-40(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;1-18-37-26-10-6-19(13-29(26)46-18)30-22-12-20(7-9-25(22)39-40-30)31(43)38-21-8-11-27(32(44)42-16-33(35,36)17-42)41(14-21)15-23-24(34)4-3-5-28(23)45-2;1-21-16-23(12-14-34-21)29-26-17-24(8-10-27(26)36-37-29)30(40)35-25-9-11-28(31(41)39-19-32(2,33)20-39)38(18-25)15-13-22-6-4-3-5-7-22;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/h7-11,13-14,16-17,23,29H,5-6,12,15,18-19H2,1-4H3,(H,37,42)(H,38,39);3-7,9-10,12-13,21,27H,8,11,14-17H2,1-2H3,(H,38,43)(H,39,40);3-8,10,12,14,16-17,25,28H,9,11,13,15,18-20H2,1-2H3,(H,35,40)(H,36,37);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)/t23-,29+;21-,27+;25-,28+;24-,27+/m1111/s1
• InChIKey: NKEXHABQFQXJOQ-VIONSBQZSA-N
• XLogP: 20.61
• TPSA: 417.02 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.86
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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-(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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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 159804393) is 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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-(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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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-(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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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(F)(F)C1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(C)(F)C5)N(CCc5ccccc5)C4)cc23)ccn1.Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)Nc5nccs5)N(CCc5ccccc5)C4)cc23)ccn1.

What is the InChIKey of 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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 NKEXHABQFQXJOQ-VIONSBQZSA-N. The full InChI is InChI=1S/C34H37FN6O3S.C33H31F3N6O3S.C32H35FN6O2.C31H31N7O2S/c1-5-40(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;1-18-37-26-10-6-19(13-29(26)46-18)30-22-12-20(7-9-25(22)39-40-30)31(43)38-21-8-11-27(32(44)42-16-33(35,36)17-42)41(14-21)15-23-24(34)4-3-5-28(23)45-2;1-21-16-23(12-14-34-21)29-26-17-24(8-10-27(26)36-37-29)30(40)35-25-9-11-28(31(41)39-19-32(2,33)20-39)38(18-25)15-13-22-6-4-3-5-7-22;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/h7-11,13-14,16-17,23,29H,5-6,12,15,18-19H2,1-4H3,(H,37,42)(H,38,39);3-7,9-10,12-13,21,27H,8,11,14-17H2,1-2H3,(H,38,43)(H,39,40);3-8,10,12,14,16-17,25,28H,9,11,13,15,18-20H2,1-2H3,(H,35,40)(H,36,37);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)/t23-,29+;21-,27+;25-,28+;24-,27+/m1111/s1.

What are the key properties of 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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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-(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)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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 2397.86 g/mol, XLogP of 20.61, 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-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3,3-difluoroazetidine-1-carbonyl)-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-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-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 159804393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).