oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate

C27H21FN4O4 — CID 160737624

About oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate

oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate (PubChem CID 160737624) has the molecular formula C27H21FN4O4 and a molecular weight of 484.49 g/mol. Its IUPAC name is oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate.

Molecular Properties

• Compound Name: oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
• PubChem CID: 160737624
• Molecular Formula: C27H21FN4O4
• Molecular Weight: 484.49 g/mol
• Exact Mass: 484.15
• IUPAC Name: oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
• SMILES: O=C(NC1=Nc2cc(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)ccc2C1)OC1COC1
• InChI: InChI=1S/C27H21FN4O4/c28-22-8-5-15(10-24-19-3-1-2-4-20(19)26(33)32-31-24)9-21(22)16-6-7-17-12-25(29-23(17)11-16)30-27(34)36-18-13-35-14-18/h1-9,11,18H,10,12-14H2,(H,32,33)(H,29,30,34)
• InChIKey: RVDXSRLVUUMRCX-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 105.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?

The IUPAC name of oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate (CID 160737624) is oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate.

What is the SMILES notation for oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?

The canonical SMILES for oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate is O=C(NC1=Nc2cc(-c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)ccc2C1)OC1COC1.

What is the InChIKey of oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?

The InChIKey is RVDXSRLVUUMRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O4/c28-22-8-5-15(10-24-19-3-1-2-4-20(19)26(33)32-31-24)9-21(22)16-6-7-17-12-25(29-23(17)11-16)30-27(34)36-18-13-35-14-18/h1-9,11,18H,10,12-14H2,(H,32,33)(H,29,30,34).

What are the key properties of oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate?

oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate has a molecular weight of 484.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate is sourced from PubChem (CID 160737624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).