N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide

C38H45N7O8S — CID 118175422

About N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide (PubChem CID 118175422) has the molecular formula C38H45N7O8S and a molecular weight of 759.89 g/mol. Its IUPAC name is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide
• PubChem CID: 118175422
• Molecular Formula: C38H45N7O8S
• Molecular Weight: 759.89 g/mol
• Exact Mass: 759.31
• IUPAC Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide
• SMILES: CCCN(C1CCN(C2CN(C(=O)NC3(c4cccnc4OC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4OC)c4ccc(C#N)cc43)C2)CC1)C1COC1
• InChI: InChI=1S/C38H45N7O8S/c1-5-15-44(28-23-53-24-28)26-12-16-42(17-13-26)27-21-43(22-27)37(47)41-38(30-7-6-14-40-35(30)52-4)31-18-25(20-39)8-10-32(31)45(36(38)46)54(48,49)34-11-9-29(50-2)19-33(34)51-3/h6-11,14,18-19,26-28H,5,12-13,15-17,21-24H2,1-4H3,(H,41,47)
• InChIKey: UJGRIBVZXUESJU-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 166.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.89
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide?

The IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide (CID 118175422) is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide?

The canonical SMILES for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide is CCCN(C1CCN(C2CN(C(=O)NC3(c4cccnc4OC)C(=O)N(S(=O)(=O)c4ccc(OC)cc4OC)c4ccc(C#N)cc43)C2)CC1)C1COC1.

What is the InChIKey of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide?

The InChIKey is UJGRIBVZXUESJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N7O8S/c1-5-15-44(28-23-53-24-28)26-12-16-42(17-13-26)27-21-43(22-27)37(47)41-38(30-7-6-14-40-35(30)52-4)31-18-25(20-39)8-10-32(31)45(36(38)46)54(48,49)34-11-9-29(50-2)19-33(34)51-3/h6-11,14,18-19,26-28H,5,12-13,15-17,21-24H2,1-4H3,(H,41,47).

What are the key properties of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide?

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 759.89 g/mol, XLogP of 2.93, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[oxetan-3-yl(propyl)amino]piperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 118175422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).