CID 146633971

C28H29FN4O5 — CID 146633971

IUPAC—
SMILESCNC(=O)Nc1ccc2c(c1)C1(CC1)CC21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)C1=O
InChIInChI=1S/C28H29FN4O5/c1-16-3-10-22(17-4-6-18(29)7-5-17)33(16)23(34)14-32-24(35)28(38-26(32)37)15-27(11-12-27)21-13-19(8-9-20(21)28)31-25(36)30-2/h4-9,13,16,22H,3,10-12,14-15H2,1-2H3,(H2,30,31,36)/t16-,22-,28?/m0/s1
InChIKeyPMQVMZGQXNSTQV-JRWVNWIFSA-N
MW520.56 g/mol
LogP3.94
Rot. Bonds4

About CID 146633971

CID 146633971 (PubChem CID 146633971) has the molecular formula C28H29FN4O5 and a molecular weight of 520.56 g/mol.

Molecular Properties

Compound NameCID 146633971
PubChem CID146633971
Molecular FormulaC28H29FN4O5
Molecular Weight520.56 g/mol
Exact Mass520.21
IUPAC Name—
SMILESCNC(=O)Nc1ccc2c(c1)C1(CC1)CC21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)C1=O
InChIInChI=1S/C28H29FN4O5/c1-16-3-10-22(17-4-6-18(29)7-5-17)33(16)23(34)14-32-24(35)28(38-26(32)37)15-27(11-12-27)21-13-19(8-9-20(21)28)31-25(36)30-2/h4-9,13,16,22H,3,10-12,14-15H2,1-2H3,(H2,30,31,36)/t16-,22-,28?/m0/s1
InChIKeyPMQVMZGQXNSTQV-JRWVNWIFSA-N
XLogP3.94
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-[(5S)-2-(4-fluorophenyl)-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146633978
CID 165096445
CID 165096445
1-cyclopropyl-3-[3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
CID 164706866
1-methyl-3-[(5R)-3-[2-[(2S,5R)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
CID 164983920
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 165076184
1-[(5R)-3-[2-[(2R,5S)-2-(4-fluoro-2-methylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 164993791
1-[(5R)-3-[2-[(2S,5R)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 165087847
1-[3-[2-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 167026301
1-[3-[2-[(2S,5S)-2-(4-fluoro-2-propan-2-ylphenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 164706833
1-[(5R)-3-[2-[5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146633775
6-amino-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 167026304
tris(1-[(5R)-3-[2-[(2S,5S)-2-(3,4-difluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea);(3R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3'-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione;methyl N-[(5R)-3-[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamate
CID 165096183

Frequently Asked Questions

What is the IUPAC name of CID 146633971?
The IUPAC name of CID 146633971 (CID 146633971) is not available.
What is the SMILES notation for CID 146633971?
The canonical SMILES for CID 146633971 is CNC(=O)Nc1ccc2c(c1)C1(CC1)CC21OC(=O)N(CC(=O)N2[C@@H](C)CC[C@H]2c2ccc(F)cc2)C1=O.
What is the InChIKey of CID 146633971?
The InChIKey is PMQVMZGQXNSTQV-JRWVNWIFSA-N. The full InChI is InChI=1S/C28H29FN4O5/c1-16-3-10-22(17-4-6-18(29)7-5-17)33(16)23(34)14-32-24(35)28(38-26(32)37)15-27(11-12-27)21-13-19(8-9-20(21)28)31-25(36)30-2/h4-9,13,16,22H,3,10-12,14-15H2,1-2H3,(H2,30,31,36)/t16-,22-,28?/m0/s1.
What are the key properties of CID 146633971?
CID 146633971 has a molecular weight of 520.56 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146633971 is sourced from PubChem (CID 146633971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).