propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate

C28H29N5O3 — CID 59425998

About propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate (PubChem CID 59425998) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate
• PubChem CID: 59425998
• Molecular Formula: C28H29N5O3
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.23
• IUPAC Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate
• SMILES: Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1C
• InChI: InChI=1S/C28H29N5O3/c1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-16-18(3)32(27)4)14-25(23)33(26)21-6-5-7-21/h8-14,16-17,21H,5-7H2,1-4H3,(H,31,34)
• InChIKey: GZHWSAPYHRMOTB-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 94.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate (CID 59425998) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate is Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1C.

What is the InChIKey of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate?

The InChIKey is GZHWSAPYHRMOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-16-18(3)32(27)4)14-25(23)33(26)21-6-5-7-21/h8-14,16-17,21H,5-7H2,1-4H3,(H,31,34).

What are the key properties of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate has a molecular weight of 483.57 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).