N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C24H19FN6O3S — CID 59011306

IUPACN-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(N3CCOC3=O)cc1F)CC2
InChIInChI=1S/C24H19FN6O3S/c1-13(32)27-23-28-18-6-5-16-20(14-3-2-8-26-12-14)29-31(21(16)22(18)35-23)19-7-4-15(11-17(19)25)30-9-10-34-24(30)33/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,27,28,32)
InChIKeyZFRZBHVAJGBXBR-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.21
Rot. Bonds4

About N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 59011306) has the molecular formula C24H19FN6O3S and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID59011306
Molecular FormulaC24H19FN6O3S
Molecular Weight490.52 g/mol
Exact Mass490.12
IUPAC NameN-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(N3CCOC3=O)cc1F)CC2
InChIInChI=1S/C24H19FN6O3S/c1-13(32)27-23-28-18-6-5-16-20(14-3-2-8-26-12-14)29-31(21(16)22(18)35-23)19-7-4-15(11-17(19)25)30-9-10-34-24(30)33/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,27,28,32)
InChIKeyZFRZBHVAJGBXBR-UHFFFAOYSA-N
XLogP4.21
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 59011306) is N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(N3CCOC3=O)cc1F)CC2.
What is the InChIKey of N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is ZFRZBHVAJGBXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3S/c1-13(32)27-23-28-18-6-5-16-20(14-3-2-8-26-12-14)29-31(21(16)22(18)35-23)19-7-4-15(11-17(19)25)30-9-10-34-24(30)33/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,27,28,32).
What are the key properties of N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 490.52 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 59011306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).