(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide

C23H22F3N3O5 — CID 156840929

IUPAC(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
SMILESCOC1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(F)cc4F)c1n23
InChIInChI=1S/C23H22F3N3O5/c1-34-15-8-23-4-2-3-5-28(10-23)22(33)18-20(31)19(30)16(17(15)29(18)23)21(32)27-9-12-13(25)6-11(24)7-14(12)26/h6-7,15,31H,2-5,8-10H2,1H3,(H,27,32)/t15?,23-/m1/s1
InChIKeyXACLCRWDEKWJMH-RYDFDWSBSA-N
MW477.44 g/mol
LogP2.33
Rot. Bonds4

About (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide

(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide (PubChem CID 156840929) has the molecular formula C23H22F3N3O5 and a molecular weight of 477.44 g/mol. Its IUPAC name is (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide.

Molecular Properties

Compound Name(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
PubChem CID156840929
Molecular FormulaC23H22F3N3O5
Molecular Weight477.44 g/mol
Exact Mass477.15
IUPAC Name(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
SMILESCOC1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(F)cc4F)c1n23
InChIInChI=1S/C23H22F3N3O5/c1-34-15-8-23-4-2-3-5-28(10-23)22(33)18-20(31)19(30)16(17(15)29(18)23)21(32)27-9-12-13(25)6-11(24)7-14(12)26/h6-7,15,31H,2-5,8-10H2,1H3,(H,27,32)/t15?,23-/m1/s1
InChIKeyXACLCRWDEKWJMH-RYDFDWSBSA-N
XLogP2.33
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,2S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,2R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-2,3-dimethoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-7-hydroxy-3-methoxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 160849239
(1R,2R,3R)-7-hydroxy-2,3-dimethoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 159809656
(1R,3S)-N-[(2,4-difluorophenyl)methyl]-3,7-dihydroxy-6,9-dioxo-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 156840958
(1S)-7-hydroxy-3-(hydroxymethyl)-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;bis((1S)-3-(hydroxymethyl)-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide);(1S)-3-(hydroxymethyl)-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;(1S)-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 160650526
3-fluoro-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1R,3R)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;(1S,3S)-3-fluoro-7-hydroxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide;3-fluoro-5-iodo-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;3-fluoro-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione;7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 161375838
(1S)-6,9-dioxo-7-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide
CID 162465967
2,9-dihydroxy-4,6-dimethyl-7,10-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 148900004
(1S)-1-ethyl-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155145985
6-hydroxy-1-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide;1-methyl-5,8-dioxo-6-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 159784918
5-iodo-3-methoxy-7-phenylmethoxy-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 157055921
7-hydroxy-5-[5-[(2,4,6-trifluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-6,9-dione
CID 156840860
(1S,12S)-6-hydroxy-12-methoxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 155146139

Frequently Asked Questions

What is the IUPAC name of (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
The IUPAC name of (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide (CID 156840929) is (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide.
What is the SMILES notation for (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
The canonical SMILES for (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide is COC1C[C@]23CCCCN(C2)C(=O)c2c(O)c(=O)c(C(=O)NCc4c(F)cc(F)cc4F)c1n23.
What is the InChIKey of (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
The InChIKey is XACLCRWDEKWJMH-RYDFDWSBSA-N. The full InChI is InChI=1S/C23H22F3N3O5/c1-34-15-8-23-4-2-3-5-28(10-23)22(33)18-20(31)19(30)16(17(15)29(18)23)21(32)27-9-12-13(25)6-11(24)7-14(12)26/h6-7,15,31H,2-5,8-10H2,1H3,(H,27,32)/t15?,23-/m1/s1.
What are the key properties of (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide?
(1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide has a molecular weight of 477.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-hydroxy-3-methoxy-6,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,15-diazatetracyclo[6.6.1.11,10.04,15]hexadeca-4,7-diene-5-carboxamide is sourced from PubChem (CID 156840929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).