14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C24H19F2N3O5 — CID 71701547

IUPAC14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(oc3c(-c4cccc(OC(F)F)c4)c4c(=O)[nH]n(C5CCCC5)c4[nH]c32)c1O
InChIInChI=1S/C24H19F2N3O5/c25-24(26)33-13-7-3-4-11(10-13)16-17-22(29(28-23(17)32)12-5-1-2-6-12)27-18-14-8-9-15(30)19(31)20(14)34-21(16)18/h3-4,7-10,12,24,27,31H,1-2,5-6H2,(H,28,32)
InChIKeyPXDIZKKQBAKVRG-UHFFFAOYSA-N
MW467.43 g/mol
LogP5.01
Rot. Bonds4

About 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71701547) has the molecular formula C24H19F2N3O5 and a molecular weight of 467.43 g/mol. Its IUPAC name is 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71701547
Molecular FormulaC24H19F2N3O5
Molecular Weight467.43 g/mol
Exact Mass467.13
IUPAC Name14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(oc3c(-c4cccc(OC(F)F)c4)c4c(=O)[nH]n(C5CCCC5)c4[nH]c32)c1O
InChIInChI=1S/C24H19F2N3O5/c25-24(26)33-13-7-3-4-11(10-13)16-17-22(29(28-23(17)32)12-5-1-2-6-12)27-18-14-8-9-15(30)19(31)20(14)34-21(16)18/h3-4,7-10,12,24,27,31H,1-2,5-6H2,(H,28,32)
InChIKeyPXDIZKKQBAKVRG-UHFFFAOYSA-N
XLogP5.01
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71701547) is 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is O=c1ccc2c(oc3c(-c4cccc(OC(F)F)c4)c4c(=O)[nH]n(C5CCCC5)c4[nH]c32)c1O.
What is the InChIKey of 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is PXDIZKKQBAKVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O5/c25-24(26)33-13-7-3-4-11(10-13)16-17-22(29(28-23(17)32)12-5-1-2-6-12)27-18-14-8-9-15(30)19(31)20(14)34-21(16)18/h3-4,7-10,12,24,27,31H,1-2,5-6H2,(H,28,32).
What are the key properties of 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 467.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopentyl-10-[3-(difluoromethoxy)phenyl]-6-hydroxy-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).