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

C143H139F8N23O9S — CID 158706433

About 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

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 (PubChem CID 158706433) has the molecular formula C143H139F8N23O9S and a molecular weight of 2507.89 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158706433
• Molecular Formula: C143H139F8N23O9S
• Molecular Weight: 2507.89 g/mol
• Exact Mass: 2506.07
• IUPAC Name: 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
• SMILES: C.C.Cc1nc2ccc(C3=NCc4ccc(C(=O)C[C@@H]5C[C@H](C)CN(Cc6c(O)cccc6F)C5)cc43)cc2s1.O=C(C[C@H]1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccc3nccn3c1)=NC2.O=C(C[C@H]1CN(Cc2c(O)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccc3nccn3c1)=NC2.O=C(N[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)NC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(N[C@@H]1CC[C@H](C(=O)NCc2ccccc2)NC1)c1ccc2[nH]nc(-c3ccncc3)c2c1
• InChI: InChI=1S/C31H30FN3O2S.C29H24F4N4O.C29H25F3N4O2.2C26H26N6O2.2CH4/c1-18-10-20(16-35(15-18)17-25-26(32)4-3-5-28(25)36)11-29(37)21-6-7-23-14-33-31(24(23)12-21)22-8-9-27-30(13-22)38-19(2)34-27;30-24-2-1-3-25(31)23(24)16-36-14-18(12-29(32,33)17-36)10-26(38)19-4-5-20-13-35-28(22(20)11-19)21-6-7-27-34-8-9-37(27)15-21;30-24-2-1-3-25(37)23(24)16-35-14-18(12-29(31,32)17-35)10-26(38)19-4-5-20-13-34-28(22(20)11-19)21-6-7-27-33-8-9-36(27)15-21;2*33-25(19-6-8-22-21(14-19)24(32-31-22)18-10-12-27-13-11-18)30-20-7-9-23(28-16-20)26(34)29-15-17-4-2-1-3-5-17;;/h3-9,12-13,18,20,36H,10-11,14-17H2,1-2H3;1-9,11,15,18H,10,12-14,16-17H2;1-9,11,15,18,37H,10,12-14,16-17H2;2*1-6,8,10-14,20,23,28H,7,9,15-16H2,(H,29,34)(H,30,33)(H,31,32);2*1H4/t18-,20-;2*18-;20-,23+;20-,23-;;/m01111../s1
• InChIKey: IIEAYHBDAHGXCW-KNFKBUSSSA-N
• XLogP: 24.34
• TPSA: 409.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2507.89
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.Cc1nc2ccc(C3=NCc4ccc(C(=O)C[C@@H]5C[C@H](C)CN(Cc6c(O)cccc6F)C5)cc43)cc2s1.O=C(C[C@H]1CN(Cc2c(F)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccc3nccn3c1)=NC2.O=C(C[C@H]1CN(Cc2c(O)cccc2F)CC(F)(F)C1)c1ccc2c(c1)C(c1ccc3nccn3c1)=NC2.O=C(N[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)NC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.O=C(N[C@@H]1CC[C@H](C(=O)NCc2ccccc2)NC1)c1ccc2[nH]nc(-c3ccncc3)c2c1.

What is the InChIKey of 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?

The InChIKey is IIEAYHBDAHGXCW-KNFKBUSSSA-N. The full InChI is InChI=1S/C31H30FN3O2S.C29H24F4N4O.C29H25F3N4O2.2C26H26N6O2.2CH4/c1-18-10-20(16-35(15-18)17-25-26(32)4-3-5-28(25)36)11-29(37)21-6-7-23-14-33-31(24(23)12-21)22-8-9-27-30(13-22)38-19(2)34-27;30-24-2-1-3-25(31)23(24)16-36-14-18(12-29(32,33)17-36)10-26(38)19-4-5-20-13-35-28(22(20)11-19)21-6-7-27-34-8-9-37(27)15-21;30-24-2-1-3-25(37)23(24)16-35-14-18(12-29(31,32)17-35)10-26(38)19-4-5-20-13-34-28(22(20)11-19)21-6-7-27-33-8-9-36(27)15-21;2*33-25(19-6-8-22-21(14-19)24(32-31-22)18-10-12-27-13-11-18)30-20-7-9-23(28-16-20)26(34)29-15-17-4-2-1-3-5-17;;/h3-9,12-13,18,20,36H,10-11,14-17H2,1-2H3;1-9,11,15,18H,10,12-14,16-17H2;1-9,11,15,18,37H,10,12-14,16-17H2;2*1-6,8,10-14,20,23,28H,7,9,15-16H2,(H,29,34)(H,30,33)(H,31,32);2*1H4/t18-,20-;2*18-;20-,23+;20-,23-;;/m01111../s1.

What are the key properties of 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?

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 has a molecular weight of 2507.89 g/mol, XLogP of 24.34, 30 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158706433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).