1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C129H136F5N23O25 — CID 165076183

IUPAC1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@@]2(C)c2ccc(F)cc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)nc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@]2(C)c2ccc(F)cc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](c3ccc(F)nc3)CC[C@@H]2C)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@H]2c2ccc(F)nc2)C1=O
InChIInChI=1S/2C27H29FN4O5.3C25H26FN5O5/c2*1-16-10-12-26(2,18-4-6-19(28)7-5-18)32(16)22(33)15-31-23(34)27(37-25(31)36)13-11-17-14-20(8-9-21(17)27)30-24(35)29-3;3*1-14-3-7-19(16-4-8-20(26)28-12-16)31(14)21(32)13-30-22(33)25(36-24(30)35)10-9-15-11-17(5-6-18(15)25)29-23(34)27-2/h2*4-9,14,16H,10-13,15H2,1-3H3,(H2,29,30,35);3*4-6,8,11-12,14,19H,3,7,9-10,13H2,1-2H3,(H2,27,29,34)/t16-,26+,27+;16-,26-,27+;14-,19+,25+;14-,19+,25-;14-,19-,25+/m00010/s1
InChIKeyUIMZFPLWJQPZEZ-VRCGFPBCSA-N
MW2503.63 g/mol
LogP15.78
Rot. Bonds20

About 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 165076183) has the molecular formula C129H136F5N23O25 and a molecular weight of 2503.63 g/mol. Its IUPAC name is 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
PubChem CID165076183
Molecular FormulaC129H136F5N23O25
Molecular Weight2503.63 g/mol
Exact Mass2502.00
IUPAC Name1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@@]2(C)c2ccc(F)cc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)nc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@]2(C)c2ccc(F)cc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](c3ccc(F)nc3)CC[C@@H]2C)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@H]2c2ccc(F)nc2)C1=O
InChIInChI=1S/2C27H29FN4O5.3C25H26FN5O5/c2*1-16-10-12-26(2,18-4-6-19(28)7-5-18)32(16)22(33)15-31-23(34)27(37-25(31)36)13-11-17-14-20(8-9-21(17)27)30-24(35)29-3;3*1-14-3-7-19(16-4-8-20(26)28-12-16)31(14)21(32)13-30-22(33)25(36-24(30)35)10-9-15-11-17(5-6-18(15)25)29-23(34)27-2/h2*4-9,14,16H,10-13,15H2,1-3H3,(H2,29,30,35);3*4-6,8,11-12,14,19H,3,7,9-10,13H2,1-2H3,(H2,27,29,34)/t16-,26+,27+;16-,26-,27+;14-,19+,25+;14-,19+,25-;14-,19-,25+/m00010/s1
InChIKeyUIMZFPLWJQPZEZ-VRCGFPBCSA-N
XLogP15.78
TPSA578.92 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002503.63
LogP ≤ 515.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The IUPAC name of 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 165076183) is 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.
What is the SMILES notation for 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The canonical SMILES for 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@@]2(C)c2ccc(F)cc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)nc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@]2(C)c2ccc(F)cc2)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@@H](c3ccc(F)nc3)CC[C@@H]2C)C1=O.CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2[C@H](C)CC[C@H]2c2ccc(F)nc2)C1=O.
What is the InChIKey of 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The InChIKey is UIMZFPLWJQPZEZ-VRCGFPBCSA-N. The full InChI is InChI=1S/2C27H29FN4O5.3C25H26FN5O5/c2*1-16-10-12-26(2,18-4-6-19(28)7-5-18)32(16)22(33)15-31-23(34)27(37-25(31)36)13-11-17-14-20(8-9-21(17)27)30-24(35)29-3;3*1-14-3-7-19(16-4-8-20(26)28-12-16)31(14)21(32)13-30-22(33)25(36-24(30)35)10-9-15-11-17(5-6-18(15)25)29-23(34)27-2/h2*4-9,14,16H,10-13,15H2,1-3H3,(H2,29,30,35);3*4-6,8,11-12,14,19H,3,7,9-10,13H2,1-2H3,(H2,27,29,34)/t16-,26+,27+;16-,26-,27+;14-,19+,25+;14-,19+,25-;14-,19-,25+/m00010/s1.
What are the key properties of 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 2503.63 g/mol, XLogP of 15.78, 20 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-3-[2-[(2R,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-2,5-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2R,5S)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea;1-[(5R)-3-[2-[(2S,5R)-2-(6-fluoro-3-pyridinyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 165076183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).