propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate

C28H30N4O3 — CID 59425147

About propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate (PubChem CID 59425147) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 59425147
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(C(=O)N4CCCC4)ccc3n2C2CCC2)cc1
• InChI: InChI=1S/C28H30N4O3/c1-18(2)35-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-16-20(27(33)31-14-3-4-15-31)10-13-25(23)32(26)22-6-5-7-22/h8-13,16,18,22H,3-7,14-15H2,1-2H3,(H,30,34)
• InChIKey: YCUOYEOYACQOCT-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 87.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate (CID 59425147) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(C(=O)N4CCCC4)ccc3n2C2CCC2)cc1.

What is the InChIKey of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate?

The InChIKey is YCUOYEOYACQOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-18(2)35-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-16-20(27(33)31-14-3-4-15-31)10-13-25(23)32(26)22-6-5-7-22/h8-13,16,18,22H,3-7,14-15H2,1-2H3,(H,30,34).

What are the key properties of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate has a molecular weight of 470.57 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).