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

C31H32FN5O5 — CID 118957003

IUPAC2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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)C3CC3)C2=O)cn1
InChIInChI=1S/C31H32FN5O5/c1-19(21-5-6-21)36(15-20-3-8-25(32)9-4-20)28(39)18-37-29(40)31(42-30(37)41)12-11-23-13-22(7-10-26(23)31)24-14-34-35(16-24)17-27(38)33-2/h3-4,7-10,13-14,16,19,21H,5-6,11-12,15,17-18H2,1-2H3,(H,33,38)/t19-,31+/m0/s1
InChIKeyICJRRTDFBFFKSJ-QPHCHLROSA-N
MW573.63 g/mol
LogP3.38
Rot. Bonds9

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

2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 118957003) has the molecular formula C31H32FN5O5 and a molecular weight of 573.63 g/mol. Its IUPAC name is 2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID118957003
Molecular FormulaC31H32FN5O5
Molecular Weight573.63 g/mol
Exact Mass573.24
IUPAC Name2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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)C3CC3)C2=O)cn1
InChIInChI=1S/C31H32FN5O5/c1-19(21-5-6-21)36(15-20-3-8-25(32)9-4-20)28(39)18-37-29(40)31(42-30(37)41)12-11-23-13-22(7-10-26(23)31)24-14-34-35(16-24)17-27(38)33-2/h3-4,7-10,13-14,16,19,21H,5-6,11-12,15,17-18H2,1-2H3,(H,33,38)/t19-,31+/m0/s1
InChIKeyICJRRTDFBFFKSJ-QPHCHLROSA-N
XLogP3.38
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide (CID 118957003) is 2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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)C3CC3)C2=O)cn1.
What is the InChIKey of 2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is ICJRRTDFBFFKSJ-QPHCHLROSA-N. The full InChI is InChI=1S/C31H32FN5O5/c1-19(21-5-6-21)36(15-20-3-8-25(32)9-4-20)28(39)18-37-29(40)31(42-30(37)41)12-11-23-13-22(7-10-26(23)31)24-14-34-35(16-24)17-27(38)33-2/h3-4,7-10,13-14,16,19,21H,5-6,11-12,15,17-18H2,1-2H3,(H,33,38)/t19-,31+/m0/s1.
What are the key properties of 2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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 573.63 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5R)-3-[2-[[(1S)-1-cyclopropylethyl]-[(4-fluorophenyl)methyl]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 118957003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).