[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid

C32H34FN7O9S — CID 118956882

IUPAC[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid
SMILESCNC(=O)Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCCN(S(=O)(=O)NC(=O)O)C3)C2=O)cn1
InChIInChI=1S/C32H34FN7O9S/c1-34-27(41)18-37-16-23(14-35-37)21-6-9-26-22(13-21)10-11-32(26)29(43)40(31(46)49-32)19-28(42)39(15-20-4-7-24(33)8-5-20)25-3-2-12-38(17-25)50(47,48)36-30(44)45/h4-9,13-14,16,25,36H,2-3,10-12,15,17-19H2,1H3,(H,34,41)(H,44,45)/t25-,32-/m1/s1
InChIKeyIYGWQHHCPIXZCI-NLGDKJDOSA-N
MW711.73 g/mol
LogP1.56
Rot. Bonds10

About [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid

[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid (PubChem CID 118956882) has the molecular formula C32H34FN7O9S and a molecular weight of 711.73 g/mol. Its IUPAC name is [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid.

Molecular Properties

Compound Name[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid
PubChem CID118956882
Molecular FormulaC32H34FN7O9S
Molecular Weight711.73 g/mol
Exact Mass711.21
IUPAC Name[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid
SMILESCNC(=O)Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCCN(S(=O)(=O)NC(=O)O)C3)C2=O)cn1
InChIInChI=1S/C32H34FN7O9S/c1-34-27(41)18-37-16-23(14-35-37)21-6-9-26-22(13-21)10-11-32(26)29(43)40(31(46)49-32)19-28(42)39(15-20-4-7-24(33)8-5-20)25-3-2-12-38(17-25)50(47,48)36-30(44)45/h4-9,13-14,16,25,36H,2-3,10-12,15,17-19H2,1H3,(H,34,41)(H,44,45)/t25-,32-/m1/s1
InChIKeyIYGWQHHCPIXZCI-NLGDKJDOSA-N
XLogP1.56
TPSA200.55 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.73
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid?
The IUPAC name of [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid (CID 118956882) is [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid.
What is the SMILES notation for [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid?
The canonical SMILES for [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid is CNC(=O)Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCCN(S(=O)(=O)NC(=O)O)C3)C2=O)cn1.
What is the InChIKey of [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid?
The InChIKey is IYGWQHHCPIXZCI-NLGDKJDOSA-N. The full InChI is InChI=1S/C32H34FN7O9S/c1-34-27(41)18-37-16-23(14-35-37)21-6-9-26-22(13-21)10-11-32(26)29(43)40(31(46)49-32)19-28(42)39(15-20-4-7-24(33)8-5-20)25-3-2-12-38(17-25)50(47,48)36-30(44)45/h4-9,13-14,16,25,36H,2-3,10-12,15,17-19H2,1H3,(H,34,41)(H,44,45)/t25-,32-/m1/s1.
What are the key properties of [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid?
[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid has a molecular weight of 711.73 g/mol, XLogP of 1.56, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]piperidin-1-yl]sulfonylcarbamic acid is sourced from PubChem (CID 118956882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).