N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide

C76H88N14O15S2 — CID 126503760

About N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide

N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide (PubChem CID 126503760) has the molecular formula C76H88N14O15S2 and a molecular weight of 1501.76 g/mol. Its IUPAC name is N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 126503760
• Molecular Formula: C76H88N14O15S2
• Molecular Weight: 1501.76 g/mol
• Exact Mass: 1500.60
• IUPAC Name: N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
• SMILES: CCOc1ncccc1[C@]1(NC(=O)N2CCC(N3C[C@@H]4C[C@H]3CN4C3COC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)c(C)c2C)c2ccc(C#N)cc21
• InChI: InChI=1S/C38H43N7O8S.C38H45N7O7S/c1-4-53-35-30(6-5-13-40-35)38(41-37(47)42-14-11-25(12-15-42)43-20-27-17-26(43)21-44(27)28-22-52-23-28)31-16-24(19-39)7-9-32(31)45(36(38)46)54(48,49)34-10-8-29(50-2)18-33(34)51-3;1-5-52-35-30(7-6-14-40-35)38(41-37(47)44-19-17-43(18-20-44)28-12-15-42(16-13-28)29-23-51-24-29)31-21-27(22-39)8-9-32(31)45(36(38)46)53(48,49)34-11-10-33(50-4)25(2)26(34)3/h5-10,13,16,18,25-28H,4,11-12,14-15,17,20-23H2,1-3H3,(H,41,47);6-11,14,21,28-29H,5,12-13,15-20,23-24H2,1-4H3,(H,41,47)/t26-,27-,38+;38-/m01/s1
• InChIKey: KVPFVGJDLYMIMV-KSOFLBDPSA-N
• XLogP: 5.83
• TPSA: 324.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.76
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide (CID 126503760) is N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide is CCOc1ncccc1[C@]1(NC(=O)N2CCC(N3C[C@@H]4C[C@H]3CN4C3COC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)c(C)c2C)c2ccc(C#N)cc21.

What is the InChIKey of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

The InChIKey is KVPFVGJDLYMIMV-KSOFLBDPSA-N. The full InChI is InChI=1S/C38H43N7O8S.C38H45N7O7S/c1-4-53-35-30(6-5-13-40-35)38(41-37(47)42-14-11-25(12-15-42)43-20-27-17-26(43)21-44(27)28-22-52-23-28)31-16-24(19-39)7-9-32(31)45(36(38)46)54(48,49)34-10-8-29(50-2)18-33(34)51-3;1-5-52-35-30(7-6-14-40-35)38(41-37(47)44-19-17-43(18-20-44)28-12-15-42(16-13-28)29-23-51-24-29)31-21-27(22-39)8-9-32(31)45(36(38)46)53(48,49)34-11-10-33(50-4)25(2)26(34)3/h5-10,13,16,18,25-28H,4,11-12,14-15,17,20-23H2,1-3H3,(H,41,47);6-11,14,21,28-29H,5,12-13,15-20,23-24H2,1-4H3,(H,41,47)/t26-,27-,38+;38-/m01/s1.

What are the key properties of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide has a molecular weight of 1501.76 g/mol, XLogP of 5.83, 19 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[(1S,4S)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126503760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).