(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C23H21F3N4O6 — CID 170169159

IUPAC(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESC[C@H]1CC[C@@]2(CN(Cc3c(F)cc(F)cc3F)C(=O)O2)[C@H]2CN1C(=O)c1c(O)c(=O)c(C(N)=O)cn12
InChIInChI=1S/C23H21F3N4O6/c1-10-2-3-23(9-28(22(35)36-23)6-12-14(25)4-11(24)5-15(12)26)16-8-29(10)21(34)17-19(32)18(31)13(20(27)33)7-30(16)17/h4-5,7,10,16,32H,2-3,6,8-9H2,1H3,(H2,27,33)/t10-,16+,23+/m0/s1
InChIKeyHZADTDQXGCAINL-BYVBEVRFSA-N
MW506.44 g/mol
LogP1.64
Rot. Bonds3

About (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 170169159) has the molecular formula C23H21F3N4O6 and a molecular weight of 506.44 g/mol. Its IUPAC name is (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

Compound Name(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
PubChem CID170169159
Molecular FormulaC23H21F3N4O6
Molecular Weight506.44 g/mol
Exact Mass506.14
IUPAC Name(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESC[C@H]1CC[C@@]2(CN(Cc3c(F)cc(F)cc3F)C(=O)O2)[C@H]2CN1C(=O)c1c(O)c(=O)c(C(N)=O)cn12
InChIInChI=1S/C23H21F3N4O6/c1-10-2-3-23(9-28(22(35)36-23)6-12-14(25)4-11(24)5-15(12)26)16-8-29(10)21(34)17-19(32)18(31)13(20(27)33)7-30(16)17/h4-5,7,10,16,32H,2-3,6,8-9H2,1H3,(H2,27,33)/t10-,16+,23+/m0/s1
InChIKeyHZADTDQXGCAINL-BYVBEVRFSA-N
XLogP1.64
TPSA135.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide with MolForge

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Related Compounds

(1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169621
(1'R,5S,10'S)-6'-hydroxy-3,10'-dimethyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,4,2-oxathiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169694
(1R,10S,13S)-6-hydroxy-10-methyl-3'-methylsulfanyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314477
(1R,10S,13S)-3'-(difluoromethyl)-6-hydroxy-10-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314857
(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169325
(1'R,5R,10'S)-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxy-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169274
(1'R,5S,10'S)-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxy-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170170830
(1'R,4S,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-4,6'-dihydroxy-3,10'-dimethyl-5',8'-dioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170168717
(1R,10R,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-6-hydroxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 170314680
(1'R,5S,10'S)-10'-methyl-3-methylsulfanyl-5',8'-dioxo-6'-phenylmethoxy-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170170084
(1R,10S,13S)-6-hydroxy-10-methyl-5,8-dioxo-3'-pyrazol-1-yl-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314422
(1'R,2R,4R,10'S)-2-benzyl-6'-hydroxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-dioxolane-4,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314817

Frequently Asked Questions

What is the IUPAC name of (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The IUPAC name of (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 170169159) is (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.
What is the SMILES notation for (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The canonical SMILES for (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is C[C@H]1CC[C@@]2(CN(Cc3c(F)cc(F)cc3F)C(=O)O2)[C@H]2CN1C(=O)c1c(O)c(=O)c(C(N)=O)cn12.
What is the InChIKey of (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The InChIKey is HZADTDQXGCAINL-BYVBEVRFSA-N. The full InChI is InChI=1S/C23H21F3N4O6/c1-10-2-3-23(9-28(22(35)36-23)6-12-14(25)4-11(24)5-15(12)26)16-8-29(10)21(34)17-19(32)18(31)13(20(27)33)7-30(16)17/h4-5,7,10,16,32H,2-3,6,8-9H2,1H3,(H2,27,33)/t10-,16+,23+/m0/s1.
What are the key properties of (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 170169159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).