propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate

C25H28N6O3 — CID 71176789

About propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate

propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 71176789) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 71176789
• Molecular Formula: C25H28N6O3
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.22
• IUPAC Name: propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCc4cn[nH]n4)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C25H28N6O3/c1-15(2)34-25(32)28-17-8-6-16(7-9-17)24-23(26)21-11-10-20(33-14-18-13-27-30-29-18)12-22(21)31(24)19-4-3-5-19/h6-13,15,19H,3-5,14,26H2,1-2H3,(H,28,32)(H,27,29,30)
• InChIKey: LFDUZZKOYXTLIH-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 71176789) is propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(N)c3ccc(OCc4cn[nH]n4)cc3n2C2CCC2)cc1.

What is the InChIKey of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is LFDUZZKOYXTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-15(2)34-25(32)28-17-8-6-16(7-9-17)24-23(26)21-11-10-20(33-14-18-13-27-30-29-18)12-22(21)31(24)19-4-3-5-19/h6-13,15,19H,3-5,14,26H2,1-2H3,(H,28,32)(H,27,29,30).

What are the key properties of propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate?

propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 460.54 g/mol, XLogP of 5.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[3-amino-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 71176789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).