3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one

C30H23F3N5O5P — CID 134449573

IUPAC3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(Oc2ccccc2F)cc2c1-n1ncc(C(=O)c3cc4cc(OCC(F)F)c(N5CCOC5=O)cc4[nH]3)c1NP2
InChIInChI=1S/C30H23F3N5O5P/c1-15-8-17(43-23-5-3-2-4-19(23)31)11-25-27(15)38-29(36-44-25)18(13-34-38)28(39)21-9-16-10-24(42-14-26(32)33)22(12-20(16)35-21)37-6-7-41-30(37)40/h2-5,8-13,26,35-36,44H,6-7,14H2,1H3
InChIKeyGFKJGJLLJZFBLQ-UHFFFAOYSA-N
MW621.51 g/mol
LogP6.07
Rot. Bonds8

About 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one

3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one (PubChem CID 134449573) has the molecular formula C30H23F3N5O5P and a molecular weight of 621.51 g/mol. Its IUPAC name is 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one
PubChem CID134449573
Molecular FormulaC30H23F3N5O5P
Molecular Weight621.51 g/mol
Exact Mass621.14
IUPAC Name3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(Oc2ccccc2F)cc2c1-n1ncc(C(=O)c3cc4cc(OCC(F)F)c(N5CCOC5=O)cc4[nH]3)c1NP2
InChIInChI=1S/C30H23F3N5O5P/c1-15-8-17(43-23-5-3-2-4-19(23)31)11-25-27(15)38-29(36-44-25)18(13-34-38)28(39)21-9-16-10-24(42-14-26(32)33)22(12-20(16)35-21)37-6-7-41-30(37)40/h2-5,8-13,26,35-36,44H,6-7,14H2,1H3
InChIKeyGFKJGJLLJZFBLQ-UHFFFAOYSA-N
XLogP6.07
TPSA110.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.51
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one (CID 134449573) is 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one is Cc1cc(Oc2ccccc2F)cc2c1-n1ncc(C(=O)c3cc4cc(OCC(F)F)c(N5CCOC5=O)cc4[nH]3)c1NP2.
What is the InChIKey of 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one?
The InChIKey is GFKJGJLLJZFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N5O5P/c1-15-8-17(43-23-5-3-2-4-19(23)31)11-25-27(15)38-29(36-44-25)18(13-34-38)28(39)21-9-16-10-24(42-14-26(32)33)22(12-20(16)35-21)37-6-7-41-30(37)40/h2-5,8-13,26,35-36,44H,6-7,14H2,1H3.
What are the key properties of 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one?
3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 621.51 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-difluoroethoxy)-2-[7-(2-fluorophenoxy)-9-methyl-4,5-dihydropyrazolo[5,1-c][2,4,1]benzodiazaphosphinine-3-carbonyl]-1H-indol-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).