5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C23H21ClFN3O2 — CID 91632556

IUPAC5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESO=C(N1CCc2nc3ccc(F)cn3c(=O)c2C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C23H21ClFN3O2/c24-16-5-3-15(4-6-16)23(10-1-2-11-23)22(30)27-12-9-19-18(14-27)21(29)28-13-17(25)7-8-20(28)26-19/h3-8,13H,1-2,9-12,14H2
InChIKeyUQTKKCKSJNBYOP-UHFFFAOYSA-N
MW425.89 g/mol
LogP3.88
Rot. Bonds2

About 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 91632556) has the molecular formula C23H21ClFN3O2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID91632556
Molecular FormulaC23H21ClFN3O2
Molecular Weight425.89 g/mol
Exact Mass425.13
IUPAC Name5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESO=C(N1CCc2nc3ccc(F)cn3c(=O)c2C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C23H21ClFN3O2/c24-16-5-3-15(4-6-16)23(10-1-2-11-23)22(30)27-12-9-19-18(14-27)21(29)28-13-17(25)7-8-20(28)26-19/h3-8,13H,1-2,9-12,14H2
InChIKeyUQTKKCKSJNBYOP-UHFFFAOYSA-N
XLogP3.88
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one with MolForge

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Related Compounds

3-[(4-Chlorophenyl)methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 12527417
6-[1-(3-Fluorophenyl)cyclopentanecarbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137095094
7-[2-(4-chlorophenyl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53183983
8-chloro-2-(2-(3-fluorophenyl)acetyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632521
2-(2-(2-chloro-6-fluorophenyl)acetyl)-8-fluoro-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632605
2-butyl-3-(4-chloro-3-fluorophenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24993437
3-(4-chlorophenyl)-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24993438
2-Butyl-3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 24994365
2-butyl-3-(4-chlorophenyl)-7-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24994369
2-butyl-3-(4-chlorophenyl)-8-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24994680
8-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)-6H-1,6-naphthyridin-7-one
CID 139551850
3-(4-Chloro-3-fluorophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 152412642

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 91632556) is 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is O=C(N1CCc2nc3ccc(F)cn3c(=O)c2C1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is UQTKKCKSJNBYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2/c24-16-5-3-15(4-6-16)23(10-1-2-11-23)22(30)27-12-9-19-18(14-27)21(29)28-13-17(25)7-8-20(28)26-19/h3-8,13H,1-2,9-12,14H2.
What are the key properties of 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 425.89 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-13-fluoro-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 91632556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).