2-[4-[6'-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]acetamide

C28H24F5N5O5 — CID 118956988

IUPAC2-[4-[6'-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]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(-c4cnn(CC(N)=O)c4)c(F)cc32)C1=O)C(F)(F)F
InChIInChI=1S/C28H24F5N5O5/c1-15(28(31,32)33)37(11-16-2-4-19(29)5-3-16)24(40)14-38-25(41)27(43-26(38)42)7-6-17-8-20(22(30)9-21(17)27)18-10-35-36(12-18)13-23(34)39/h2-5,8-10,12,15H,6-7,11,13-14H2,1H3,(H2,34,39)/t15-,27?/m0/s1
InChIKeyHGZKNBUFRZPIIF-JCHGGWTISA-N
MW605.52 g/mol
LogP3.41
Rot. Bonds8

About 2-[4-[6'-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]acetamide

2-[4-[6'-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]acetamide (PubChem CID 118956988) has the molecular formula C28H24F5N5O5 and a molecular weight of 605.52 g/mol. Its IUPAC name is 2-[4-[6'-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]acetamide.

Molecular Properties

Compound Name2-[4-[6'-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]acetamide
PubChem CID118956988
Molecular FormulaC28H24F5N5O5
Molecular Weight605.52 g/mol
Exact Mass605.17
IUPAC Name2-[4-[6'-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]acetamide
SMILESC[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(-c4cnn(CC(N)=O)c4)c(F)cc32)C1=O)C(F)(F)F
InChIInChI=1S/C28H24F5N5O5/c1-15(28(31,32)33)37(11-16-2-4-19(29)5-3-16)24(40)14-38-25(41)27(43-26(38)42)7-6-17-8-20(22(30)9-21(17)27)18-10-35-36(12-18)13-23(34)39/h2-5,8-10,12,15H,6-7,11,13-14H2,1H3,(H2,34,39)/t15-,27?/m0/s1
InChIKeyHGZKNBUFRZPIIF-JCHGGWTISA-N
XLogP3.41
TPSA127.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6'-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]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6'-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]acetamide?
The IUPAC name of 2-[4-[6'-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]acetamide (CID 118956988) is 2-[4-[6'-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]acetamide.
What is the SMILES notation for 2-[4-[6'-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]acetamide?
The canonical SMILES for 2-[4-[6'-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]acetamide is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(-c4cnn(CC(N)=O)c4)c(F)cc32)C1=O)C(F)(F)F.
What is the InChIKey of 2-[4-[6'-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]acetamide?
The InChIKey is HGZKNBUFRZPIIF-JCHGGWTISA-N. The full InChI is InChI=1S/C28H24F5N5O5/c1-15(28(31,32)33)37(11-16-2-4-19(29)5-3-16)24(40)14-38-25(41)27(43-26(38)42)7-6-17-8-20(22(30)9-21(17)27)18-10-35-36(12-18)13-23(34)39/h2-5,8-10,12,15H,6-7,11,13-14H2,1H3,(H2,34,39)/t15-,27?/m0/s1.
What are the key properties of 2-[4-[6'-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]acetamide?
2-[4-[6'-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]acetamide has a molecular weight of 605.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6'-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]acetamide is sourced from PubChem (CID 118956988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).