N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide

C26H25FN6O5 — CID 135205394

IUPACN-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC(=O)[C@]21OCN(CC(=O)N(Cc2ccc(F)cc2)c2cnn(C)c2)C1=O
InChIInChI=1S/C26H25FN6O5/c1-28-25(37)30-19-7-8-21-17(9-19)10-22(34)26(21)24(36)32(15-38-26)14-23(35)33(20-11-29-31(2)13-20)12-16-3-5-18(27)6-4-16/h3-9,11,13H,10,12,14-15H2,1-2H3,(H2,28,30,37)/t26-/m1/s1
InChIKeyWRGZHFJPVCIFNF-AREMUKBSSA-N
MW520.52 g/mol
LogP1.68
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 135205394) has the molecular formula C26H25FN6O5 and a molecular weight of 520.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID135205394
Molecular FormulaC26H25FN6O5
Molecular Weight520.52 g/mol
Exact Mass520.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC(=O)[C@]21OCN(CC(=O)N(Cc2ccc(F)cc2)c2cnn(C)c2)C1=O
InChIInChI=1S/C26H25FN6O5/c1-28-25(37)30-19-7-8-21-17(9-19)10-22(34)26(21)24(36)32(15-38-26)14-23(35)33(20-11-29-31(2)13-20)12-16-3-5-18(27)6-4-16/h3-9,11,13H,10,12,14-15H2,1-2H3,(H2,28,30,37)/t26-/m1/s1
InChIKeyWRGZHFJPVCIFNF-AREMUKBSSA-N
XLogP1.68
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.52
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide (CID 135205394) is N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide is CNC(=O)Nc1ccc2c(c1)CC(=O)[C@]21OCN(CC(=O)N(Cc2ccc(F)cc2)c2cnn(C)c2)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is WRGZHFJPVCIFNF-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25FN6O5/c1-28-25(37)30-19-7-8-21-17(9-19)10-22(34)26(21)24(36)32(15-38-26)14-23(35)33(20-11-29-31(2)13-20)12-16-3-5-18(27)6-4-16/h3-9,11,13H,10,12,14-15H2,1-2H3,(H2,28,30,37)/t26-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 520.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-(methylcarbamoylamino)-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 135205394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).