[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate

C₃₂H₃₃N₅O₃ — CID 59426193

About [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate (PubChem CID 59426193) has the molecular formula C₃₂H₃₃N₅O₃ and a molecular weight of 535.65 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate
• PubChem CID: 59426193
• Molecular Formula: C₃₂H₃₃N₅O₃
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.26
• IUPAC Name: [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate
• SMILES: CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)nc1
• InChI: InChI=1S/C32H33N5O3/c1-4-21-17-34-31(35-18-21)40-25-11-13-27-28(16-33)30(37(29(27)15-25)24-6-5-7-24)26-12-10-23(14-19(26)2)36-32(38)39-20(3)22-8-9-22/h10-15,17-18,20,22,24H,4-9H2,1-3H3,(H,36,38)/t20-/m1/s1
• InChIKey: ULWJXBCPWRLCFG-HXUWFJFHSA-N
• XLogP: 7.71
• TPSA: 102.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate?

The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate (CID 59426193) is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate.

What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate?

The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate is CCc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(C4CCC4)c3c2)nc1.

What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate?

The InChIKey is ULWJXBCPWRLCFG-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-4-21-17-34-31(35-18-21)40-25-11-13-27-28(16-33)30(37(29(27)15-25)24-6-5-7-24)26-12-10-23(14-19(26)2)36-32(38)39-20(3)22-8-9-22/h10-15,17-18,20,22,24H,4-9H2,1-3H3,(H,36,38)/t20-/m1/s1.

What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate?

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate has a molecular weight of 535.65 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-ethylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate is sourced from PubChem (CID 59426193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59426193 — identifiers, structure, computed properties (public domain)

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