1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C28H27FN8O5 — CID 134222964

IUPAC1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(O)NC2C(=O)NOC2c2ccccc2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C28H27FN8O5/c29-18-11-21(27(40)33-24-25(42-35-28(24)41)15-4-2-1-3-5-15)36(13-18)22(38)14-37-20-7-6-16(17-8-9-31-32-12-17)10-19(20)23(34-37)26(30)39/h1-10,12,18,21,24-25,27,33,40H,11,13-14H2,(H2,30,39)(H,35,41)
InChIKeyWHRCXIPUKWELOJ-UHFFFAOYSA-N
MW574.57 g/mol
LogP0.61
Rot. Bonds8

About 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 134222964) has the molecular formula C28H27FN8O5 and a molecular weight of 574.57 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID134222964
Molecular FormulaC28H27FN8O5
Molecular Weight574.57 g/mol
Exact Mass574.21
IUPAC Name1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(O)NC2C(=O)NOC2c2ccccc2)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C28H27FN8O5/c29-18-11-21(27(40)33-24-25(42-35-28(24)41)15-4-2-1-3-5-15)36(13-18)22(38)14-37-20-7-6-16(17-8-9-31-32-12-17)10-19(20)23(34-37)26(30)39/h1-10,12,18,21,24-25,27,33,40H,11,13-14H2,(H2,30,39)(H,35,41)
InChIKeyWHRCXIPUKWELOJ-UHFFFAOYSA-N
XLogP0.61
TPSA177.59 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.57
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 134222964) is 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(O)NC2C(=O)NOC2c2ccccc2)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is WHRCXIPUKWELOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN8O5/c29-18-11-21(27(40)33-24-25(42-35-28(24)41)15-4-2-1-3-5-15)36(13-18)22(38)14-37-20-7-6-16(17-8-9-31-32-12-17)10-19(20)23(34-37)26(30)39/h1-10,12,18,21,24-25,27,33,40H,11,13-14H2,(H2,30,39)(H,35,41).
What are the key properties of 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 574.57 g/mol, XLogP of 0.61, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[hydroxy-[(3-oxo-5-phenyl-1,2-oxazolidin-4-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 134222964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).