potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate

C40H50KN7O7S — CID 118514151

About potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate

potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate (PubChem CID 118514151) has the molecular formula C40H50KN7O7S and a molecular weight of 812.05 g/mol. Its IUPAC name is potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate
• PubChem CID: 118514151
• Molecular Formula: C40H50KN7O7S
• Molecular Weight: 812.05 g/mol
• Exact Mass: 811.31
• IUPAC Name: potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate
• SMILES: CC(C)(C)[O-].CCOc1ncccc1[C@]1(NC(=O)N2CC3(CN(CCN4CCCCC4)C3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C#N)cc21.[K+]
• InChI: InChI=1S/C36H41N7O6S.C4H9O.K/c1-3-49-32-29(8-7-15-38-32)36(39-34(45)42-24-35(25-42)22-41(23-35)19-18-40-16-5-4-6-17-40)30-20-26(21-37)9-14-31(30)43(33(36)44)50(46,47)28-12-10-27(48-2)11-13-28;1-4(2,3)5;/h7-15,20H,3-6,16-19,22-25H2,1-2H3,(H,39,45);1-3H3;/q;-1;+1/t36-;;/m1../s1
• InChIKey: KKCJWAUEIFRRHD-GLQAAZLXSA-N
• XLogP: 0.30
• TPSA: 171.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.05
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate?

The IUPAC name of potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate (CID 118514151) is potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate.

What is the SMILES notation for potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate?

The canonical SMILES for potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate is CC(C)(C)[O-].CCOc1ncccc1[C@]1(NC(=O)N2CC3(CN(CCN4CCCCC4)C3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(C#N)cc21.[K+].

What is the InChIKey of potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate?

The InChIKey is KKCJWAUEIFRRHD-GLQAAZLXSA-N. The full InChI is InChI=1S/C36H41N7O6S.C4H9O.K/c1-3-49-32-29(8-7-15-38-32)36(39-34(45)42-24-35(25-42)22-41(23-35)19-18-40-16-5-4-6-17-40)30-20-26(21-37)9-14-31(30)43(33(36)44)50(46,47)28-12-10-27(48-2)11-13-28;1-4(2,3)5;/h7-15,20H,3-6,16-19,22-25H2,1-2H3,(H,39,45);1-3H3;/q;-1;+1/t36-;;/m1../s1.

What are the key properties of potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate?

potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate has a molecular weight of 812.05 g/mol, XLogP of 0.30, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonyl-2-oxoindol-3-yl]-6-(2-piperidin-1-ylethyl)-2,6-diazaspiro[3.3]heptane-2-carboxamide;2-methylpropan-2-olate is sourced from PubChem (CID 118514151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).