N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide

C37H40N8O5S — CID 118514250

About N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide

N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide (PubChem CID 118514250) has the molecular formula C37H40N8O5S and a molecular weight of 708.85 g/mol. Its IUPAC name is N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
• PubChem CID: 118514250
• Molecular Formula: C37H40N8O5S
• Molecular Weight: 708.85 g/mol
• Exact Mass: 708.28
• IUPAC Name: N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
• SMILES: CCOc1ncccc1[C@@]1(NC(=O)N2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)C(=O)N(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(C#N)cc21
• InChI: InChI=1S/C37H40N8O5S/c1-4-50-33-30(6-5-15-40-33)37(41-35(47)44-23-36(24-44)21-43(22-36)28-13-16-42(17-14-28)25(2)3)31-18-27(20-39)9-12-32(31)45(34(37)46)51(48,49)29-10-7-26(19-38)8-11-29/h5-12,15,18,25,28H,4,13-14,16-17,21-24H2,1-3H3,(H,41,47)/t37-/m0/s1
• InChIKey: IUPHDJVLHBLZMY-QNGWXLTQSA-N
• XLogP: 3.40
• TPSA: 162.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	708.85
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?

The IUPAC name of N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide (CID 118514250) is N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide.

What is the SMILES notation for N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?

The canonical SMILES for N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide is CCOc1ncccc1[C@@]1(NC(=O)N2CC3(C2)CN(C2CCN(C(C)C)CC2)C3)C(=O)N(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(C#N)cc21.

What is the InChIKey of N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?

The InChIKey is IUPHDJVLHBLZMY-QNGWXLTQSA-N. The full InChI is InChI=1S/C37H40N8O5S/c1-4-50-33-30(6-5-15-40-33)37(41-35(47)44-23-36(24-44)21-43(22-36)28-13-16-42(17-14-28)25(2)3)31-18-27(20-39)9-12-32(31)45(34(37)46)51(48,49)29-10-7-26(19-38)8-11-29/h5-12,15,18,25,28H,4,13-14,16-17,21-24H2,1-3H3,(H,41,47)/t37-/m0/s1.

What are the key properties of N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide?

N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide has a molecular weight of 708.85 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-5-cyano-1-(4-cyanophenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 118514250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).