2-[4-[(5S)-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

C29H27F4N5O5 — CID 118956995

IUPAC2-[4-[(5S)-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)CC[C@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
InChIInChI=1S/C29H27F4N5O5/c1-17(29(31,32)33)37(13-18-3-6-22(30)7-4-18)25(40)16-38-26(41)28(43-27(38)42)10-9-20-11-19(5-8-23(20)28)21-12-35-36(14-21)15-24(39)34-2/h3-8,11-12,14,17H,9-10,13,15-16H2,1-2H3,(H,34,39)/t17-,28-/m0/s1
InChIKeySFFHOYAPCNTTLT-HPGBDJQBSA-N
MW601.56 g/mol
LogP3.54
Rot. Bonds8

About 2-[4-[(5S)-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-[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 118956995) has the molecular formula C29H27F4N5O5 and a molecular weight of 601.56 g/mol. Its IUPAC name is 2-[4-[(5S)-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-[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 CID118956995
Molecular FormulaC29H27F4N5O5
Molecular Weight601.56 g/mol
Exact Mass601.19
IUPAC Name2-[4-[(5S)-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)CC[C@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C)C(F)(F)F)C2=O)cn1
InChIInChI=1S/C29H27F4N5O5/c1-17(29(31,32)33)37(13-18-3-6-22(30)7-4-18)25(40)16-38-26(41)28(43-27(38)42)10-9-20-11-19(5-8-23(20)28)21-12-35-36(14-21)15-24(39)34-2/h3-8,11-12,14,17H,9-10,13,15-16H2,1-2H3,(H,34,39)/t17-,28-/m0/s1
InChIKeySFFHOYAPCNTTLT-HPGBDJQBSA-N
XLogP3.54
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5S)-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-[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-[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 118956995) is 2-[4-[(5S)-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-[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-[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)CC[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-[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 SFFHOYAPCNTTLT-HPGBDJQBSA-N. The full InChI is InChI=1S/C29H27F4N5O5/c1-17(29(31,32)33)37(13-18-3-6-22(30)7-4-18)25(40)16-38-26(41)28(43-27(38)42)10-9-20-11-19(5-8-23(20)28)21-12-35-36(14-21)15-24(39)34-2/h3-8,11-12,14,17H,9-10,13,15-16H2,1-2H3,(H,34,39)/t17-,28-/m0/s1.
What are the key properties of 2-[4-[(5S)-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-[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 601.56 g/mol, XLogP of 3.54, 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-[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 118956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).