4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

C32H32FN5O4 — CID 155318317

IUPAC4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
SMILESCOCC(C)(C)c1c(-c2ccc(C(=O)NCCN3CCOC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C32H32FN5O4/c1-32(2,19-41-3)29-28(20-4-6-21(7-5-20)30(39)34-12-13-37-14-15-42-31(37)40)25-17-26-22(18-35-36-26)16-27(25)38(29)24-10-8-23(33)9-11-24/h4-11,16-18H,12-15,19H2,1-3H3,(H,34,39)(H,35,36)
InChIKeyJLFKYBCOFXJXHL-UHFFFAOYSA-N
MW569.64 g/mol
LogP5.42
Rot. Bonds9

About 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide (PubChem CID 155318317) has the molecular formula C32H32FN5O4 and a molecular weight of 569.64 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
PubChem CID155318317
Molecular FormulaC32H32FN5O4
Molecular Weight569.64 g/mol
Exact Mass569.24
IUPAC Name4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
SMILESCOCC(C)(C)c1c(-c2ccc(C(=O)NCCN3CCOC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C32H32FN5O4/c1-32(2,19-41-3)29-28(20-4-6-21(7-5-20)30(39)34-12-13-37-14-15-42-31(37)40)25-17-26-22(18-35-36-26)16-27(25)38(29)24-10-8-23(33)9-11-24/h4-11,16-18H,12-15,19H2,1-3H3,(H,34,39)(H,35,36)
InChIKeyJLFKYBCOFXJXHL-UHFFFAOYSA-N
XLogP5.42
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide (CID 155318317) is 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide is COCC(C)(C)c1c(-c2ccc(C(=O)NCCN3CCOC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
The InChIKey is JLFKYBCOFXJXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN5O4/c1-32(2,19-41-3)29-28(20-4-6-21(7-5-20)30(39)34-12-13-37-14-15-42-31(37)40)25-17-26-22(18-35-36-26)16-27(25)38(29)24-10-8-23(33)9-11-24/h4-11,16-18H,12-15,19H2,1-3H3,(H,34,39)(H,35,36).
What are the key properties of 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide?
4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide has a molecular weight of 569.64 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide is sourced from PubChem (CID 155318317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).