(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione

C34H45FN4O4 — CID 24969064

IUPAC(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
SMILESC[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CCCCC2)C(=O)N1C
InChIInChI=1S/C34H45FN4O4/c1-22-32(40)38-29(20-23-13-16-27(35)17-14-23)33(41)36-19-7-12-25-10-6-11-26-15-18-28(43-31(25)26)21-37-30(34(42)39(22)2)24-8-4-3-5-9-24/h6,10-11,13-14,16-17,22,24,28-30,37H,3-5,7-9,12,15,18-21H2,1-2H3,(H,36,41)(H,38,40)/t22-,28-,29-,30+/m1/s1
InChIKeyCCLHNHVOQYDEKK-UFQBDYIMSA-N
MW592.76 g/mol
LogP3.69
Rot. Bonds3

About (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione

(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione (PubChem CID 24969064) has the molecular formula C34H45FN4O4 and a molecular weight of 592.76 g/mol. Its IUPAC name is (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione.

Molecular Properties

Compound Name(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
PubChem CID24969064
Molecular FormulaC34H45FN4O4
Molecular Weight592.76 g/mol
Exact Mass592.34
IUPAC Name(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
SMILESC[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CCCCC2)C(=O)N1C
InChIInChI=1S/C34H45FN4O4/c1-22-32(40)38-29(20-23-13-16-27(35)17-14-23)33(41)36-19-7-12-25-10-6-11-26-15-18-28(43-31(25)26)21-37-30(34(42)39(22)2)24-8-4-3-5-9-24/h6,10-11,13-14,16-17,22,24,28-30,37H,3-5,7-9,12,15,18-21H2,1-2H3,(H,36,41)(H,38,40)/t22-,28-,29-,30+/m1/s1
InChIKeyCCLHNHVOQYDEKK-UFQBDYIMSA-N
XLogP3.69
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.76
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione with MolForge

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Related Compounds

(7R,10R,13S)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(7R,10R,13S)-13-cyclopropyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 160996970
(7S,10R,13R)-7-[(4-chlorophenyl)methyl]-13-cyclopropyl-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 21457962
(7R,10R,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 134444017
(7R,10R,13S)-7-[(4-chlorophenyl)methyl]-9-cyclobutylidene-13-cyclopropyl-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,12-dione
CID 163849201
(7S,10S,13R)-7-benzyl-13-cyclohexyl-10-(1-hydroxyethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 18502759
(7R,10R,13S)-7-benzyl-10,11-dimethyl-13-propyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione
CID 70329209
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(3S,6S,9R,12R)-6-cyclopropyl-3,8,9-trimethyl-12-[(4-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(6S,9R,12R)-6-cyclopropyl-3,8,9-trimethyl-12-[(4-methylphenyl)methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 160892398
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-19-hydroxy-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 54671071
(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione
CID 25182057
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-hydroxyphenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 24970192
(7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione
CID 159261186
(3R,6S,9R,12R)-6-cyclopropyl-3,8,9-trimethyl-12-(pyridin-4-ylmethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 24970031

Frequently Asked Questions

What is the IUPAC name of (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
The IUPAC name of (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione (CID 24969064) is (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione.
What is the SMILES notation for (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
The canonical SMILES for (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione is C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](CC3)CN[C@@H](C2CCCCC2)C(=O)N1C.
What is the InChIKey of (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
The InChIKey is CCLHNHVOQYDEKK-UFQBDYIMSA-N. The full InChI is InChI=1S/C34H45FN4O4/c1-22-32(40)38-29(20-23-13-16-27(35)17-14-23)33(41)36-19-7-12-25-10-6-11-26-15-18-28(43-31(25)26)21-37-30(34(42)39(22)2)24-8-4-3-5-9-24/h6,10-11,13-14,16-17,22,24,28-30,37H,3-5,7-9,12,15,18-21H2,1-2H3,(H,36,41)(H,38,40)/t22-,28-,29-,30+/m1/s1.
What are the key properties of (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione?
(7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione has a molecular weight of 592.76 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10R,13S,16R)-13-cyclohexyl-7-[(4-fluorophenyl)methyl]-10,11-dimethyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione is sourced from PubChem (CID 24969064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).