[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate

C29H32N4O3 — CID 59425627

About [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate (PubChem CID 59425627) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
• PubChem CID: 59425627
• Molecular Formula: C29H32N4O3
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.25
• IUPAC Name: [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
• SMILES: C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
• InChI: InChI=1S/C29H32N4O3/c1-19(20-5-6-20)36-29(34)31-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(32-13-15-35-16-14-32)17-27(25)33(28)23-3-2-4-23/h7-12,17,19-20,23H,2-6,13-16H2,1H3,(H,31,34)/t19-/m1/s1
• InChIKey: SJYZEHQGBRYZDP-LJQANCHMSA-N
• XLogP: 6.09
• TPSA: 79.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?

The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate (CID 59425627) is [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate.

What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?

The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.

What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?

The InChIKey is SJYZEHQGBRYZDP-LJQANCHMSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19(20-5-6-20)36-29(34)31-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(32-13-15-35-16-14-32)17-27(25)33(28)23-3-2-4-23/h7-12,17,19-20,23H,2-6,13-16H2,1H3,(H,31,34)/t19-/m1/s1.

What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?

[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate has a molecular weight of 484.60 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 59425627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).