N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone

C145H139F7N20O8 — CID 158514954

About N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone

N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone (PubChem CID 158514954) has the molecular formula C145H139F7N20O8 and a molecular weight of 2422.82 g/mol. Its IUPAC name is N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone.

Molecular Properties

• Compound Name: N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone
• PubChem CID: 158514954
• Molecular Formula: C145H139F7N20O8
• Molecular Weight: 2422.82 g/mol
• Exact Mass: 2421.10
• IUPAC Name: N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone
• SMILES: CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)NCc1ccccc1.COc1cccc(F)c1CN1CCC2CC2(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C1.COc1ccccc1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.Cc1cccc(C)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.O=C(CC12CC1CCN(Cc1c(F)cccc1F)C2)c1ccc2c(c1)C(c1ccc3nccn3c1)=NC2
• InChI: InChI=1S/C31H29FN4O2.C30H26F2N4O.C29H29F2N3O.C28H27F2N3O2.C27H28N6O2/c1-38-28-4-2-3-26(32)25(28)18-35-11-9-23-14-31(23,19-35)15-27(37)20-5-6-21-16-34-30(24(21)13-20)22-7-8-29-33-10-12-36(29)17-22;31-25-2-1-3-26(32)24(25)17-35-10-8-22-13-30(22,18-35)14-27(37)19-4-5-20-15-34-29(23(20)12-19)21-6-7-28-33-9-11-36(28)16-21;1-19-4-3-5-20(2)26(19)17-34-16-21(14-29(30,31)18-34)12-27(35)23-6-7-24-15-33-28(25(24)13-23)22-8-10-32-11-9-22;1-35-26-5-3-2-4-23(26)17-33-16-19(14-28(29,30)18-33)12-25(34)21-6-7-22-15-32-27(24(22)13-21)20-8-10-31-11-9-20;1-33-17-21(8-10-24(33)27(35)29-16-18-5-3-2-4-6-18)30-26(34)20-7-9-23-22(15-20)25(32-31-23)19-11-13-28-14-12-19/h2-8,10,12-13,17,23H,9,11,14-16,18-19H2,1H3;1-7,9,11-12,16,22H,8,10,13-15,17-18H2;3-11,13,21H,12,14-18H2,1-2H3;2-11,13,19H,12,14-18H2,1H3;2-7,9,11-15,21,24H,8,10,16-17H2,1H3,(H,29,35)(H,30,34)(H,31,32)/t;;;;21-,24+/m....1/s1
• InChIKey: HLNAABXPYRXWKR-AIOJQQSXSA-N
• XLogP: 24.85
• TPSA: 312.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.82
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?

The IUPAC name of N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone (CID 158514954) is N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone.

What is the SMILES notation for N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?

The canonical SMILES for N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone is CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)NCc1ccccc1.COc1cccc(F)c1CN1CCC2CC2(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C1.COc1ccccc1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.Cc1cccc(C)c1CN1CC(CC(=O)c2ccc3c(c2)C(c2ccncc2)=NC3)CC(F)(F)C1.O=C(CC12CC1CCN(Cc1c(F)cccc1F)C2)c1ccc2c(c1)C(c1ccc3nccn3c1)=NC2.

What is the InChIKey of N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?

The InChIKey is HLNAABXPYRXWKR-AIOJQQSXSA-N. The full InChI is InChI=1S/C31H29FN4O2.C30H26F2N4O.C29H29F2N3O.C28H27F2N3O2.C27H28N6O2/c1-38-28-4-2-3-26(32)25(28)18-35-11-9-23-14-31(23,19-35)15-27(37)20-5-6-21-16-34-30(24(21)13-20)22-7-8-29-33-10-12-36(29)17-22;31-25-2-1-3-26(32)24(25)17-35-10-8-22-13-30(22,18-35)14-27(37)19-4-5-20-15-34-29(23(20)12-19)21-6-7-28-33-9-11-36(28)16-21;1-19-4-3-5-20(2)26(19)17-34-16-21(14-29(30,31)18-34)12-27(35)23-6-7-24-15-33-28(25(24)13-23)22-8-10-32-11-9-22;1-35-26-5-3-2-4-23(26)17-33-16-19(14-28(29,30)18-33)12-25(34)21-6-7-22-15-32-27(24(22)13-21)20-8-10-31-11-9-20;1-33-17-21(8-10-24(33)27(35)29-16-18-5-3-2-4-6-18)30-26(34)20-7-9-23-22(15-20)25(32-31-23)19-11-13-28-14-12-19/h2-8,10,12-13,17,23H,9,11,14-16,18-19H2,1H3;1-7,9,11-12,16,22H,8,10,13-15,17-18H2;3-11,13,21H,12,14-18H2,1-2H3;2-11,13,19H,12,14-18H2,1H3;2-7,9,11-15,21,24H,8,10,16-17H2,1H3,(H,29,35)(H,30,34)(H,31,32)/t;;;;21-,24+/m....1/s1.

What are the key properties of N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone?

N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone has a molecular weight of 2422.82 g/mol, XLogP of 24.85, 32 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,6S)-6-(benzylcarbamoyl)-1-methylpiperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[5,5-difluoro-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2,6-difluorophenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[1-[(2,6-dimethylphenyl)methyl]-5,5-difluoropiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[3-[(2-fluoro-6-methoxyphenyl)methyl]-3-azabicyclo[4.1.0]heptan-1-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone is sourced from PubChem (CID 158514954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).