(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H26FN3O3 — CID 92721371

IUPAC(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3/c1-24(23(30)26-17-8-4-2-3-5-9-17)15-27-19-11-12-31-21(19)14-20(27)22(29)28(24)18-10-6-7-16(25)13-18/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,26,30)/t24-/m0/s1
InChIKeyUFQDQSMXSBQSQB-DEOSSOPVSA-N
MW423.49 g/mol
LogP4.63
Rot. Bonds3

About (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92721371) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID92721371
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C24H26FN3O3/c1-24(23(30)26-17-8-4-2-3-5-9-17)15-27-19-11-12-31-21(19)14-20(27)22(29)28(24)18-10-6-7-16(25)13-18/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,26,30)/t24-/m0/s1
InChIKeyUFQDQSMXSBQSQB-DEOSSOPVSA-N
XLogP4.63
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Related Compounds

(11R)-N-cycloheptyl-11-methyl-10-(4-methylphenyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721426
N-cycloheptyl-10-(4-ethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272244
(3R)-N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739684
N-cyclopentyl-2-(3-fluorophenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756840
(11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721356
(11R)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501297
(11S)-N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92501296
10-cycloheptyl-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272193
(11R)-10-benzyl-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721352
(11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737568
N-cyclooctyl-11-methyl-10-[(4-methylphenyl)methyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521816
(11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737541

Frequently Asked Questions

What is the IUPAC name of (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92721371) is (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1c1cccc(F)c1.
What is the InChIKey of (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is UFQDQSMXSBQSQB-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-24(23(30)26-17-8-4-2-3-5-9-17)15-27-19-11-12-31-21(19)14-20(27)22(29)28(24)18-10-6-7-16(25)13-18/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,26,30)/t24-/m0/s1.
What are the key properties of (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-N-cycloheptyl-10-(3-fluorophenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92721371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).