2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide

C29H26F5N5O5 — CID 118956940

IUPAC2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc3c(c2)C(F)C[C@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
InChIInChI=1S/C29H26F5N5O5/c1-16(29(32,33)34)38(12-17-3-6-20(30)7-4-17)25(41)15-39-26(42)28(44-27(39)43)10-23(31)21-9-18(5-8-22(21)28)19-11-36-37(13-19)14-24(40)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,40)/t16-,23?,28-/m0/s1
InChIKeyHFGZYIKYIAUSSB-QSSZSNGPSA-N
MW619.55 g/mol
LogP4.00
Rot. Bonds8

About 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide

2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 118956940) has the molecular formula C29H26F5N5O5 and a molecular weight of 619.55 g/mol. Its IUPAC name is 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID118956940
Molecular FormulaC29H26F5N5O5
Molecular Weight619.55 g/mol
Exact Mass619.19
IUPAC Name2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc3c(c2)C(F)C[C@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
InChIInChI=1S/C29H26F5N5O5/c1-16(29(32,33)34)38(12-17-3-6-20(30)7-4-17)25(41)15-39-26(42)28(44-27(39)43)10-23(31)21-9-18(5-8-22(21)28)19-11-36-37(13-19)14-24(40)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,40)/t16-,23?,28-/m0/s1
InChIKeyHFGZYIKYIAUSSB-QSSZSNGPSA-N
XLogP4.00
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide (CID 118956940) is 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2ccc3c(c2)C(F)C[C@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1.
What is the InChIKey of 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is HFGZYIKYIAUSSB-QSSZSNGPSA-N. The full InChI is InChI=1S/C29H26F5N5O5/c1-16(29(32,33)34)38(12-17-3-6-20(30)7-4-17)25(41)15-39-26(42)28(44-27(39)43)10-23(31)21-9-18(5-8-22(21)28)19-11-36-37(13-19)14-24(40)35-2/h3-9,11,13,16,23H,10,12,14-15H2,1-2H3,(H,35,40)/t16-,23?,28-/m0/s1.
What are the key properties of 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 619.55 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5S)-3'-fluoro-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 118956940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).