6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

C21H24F2N6O3 — CID 59442148

IUPAC6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2OC(F)F)Nc2ncnc3[nH]cc(c23)C1
InChIInChI=1S/C21H24F2N6O3/c1-28-6-3-7-29(2)17(30)11-31-16-8-14(4-5-15(16)32-21(22)23)27-20-18-13(10-28)9-24-19(18)25-12-26-20/h4-5,8-9,12,21H,3,6-7,10-11H2,1-2H3,(H2,24,25,26,27)
InChIKeyNRMPXELEQYGELS-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.98
Rot. Bonds2

About 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one (PubChem CID 59442148) has the molecular formula C21H24F2N6O3 and a molecular weight of 446.46 g/mol. Its IUPAC name is 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one.

Molecular Properties

Compound Name6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
PubChem CID59442148
Molecular FormulaC21H24F2N6O3
Molecular Weight446.46 g/mol
Exact Mass446.19
IUPAC Name6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2OC(F)F)Nc2ncnc3[nH]cc(c23)C1
InChIInChI=1S/C21H24F2N6O3/c1-28-6-3-7-29(2)17(30)11-31-16-8-14(4-5-15(16)32-21(22)23)27-20-18-13(10-28)9-24-19(18)25-12-26-20/h4-5,8-9,12,21H,3,6-7,10-11H2,1-2H3,(H2,24,25,26,27)
InChIKeyNRMPXELEQYGELS-UHFFFAOYSA-N
XLogP2.98
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The IUPAC name of 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one (CID 59442148) is 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one.
What is the SMILES notation for 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The canonical SMILES for 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one is CN1CCCN(C)C(=O)COc2cc(ccc2OC(F)F)Nc2ncnc3[nH]cc(c23)C1.
What is the InChIKey of 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The InChIKey is NRMPXELEQYGELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O3/c1-28-6-3-7-29(2)17(30)11-31-16-8-14(4-5-15(16)32-21(22)23)27-20-18-13(10-28)9-24-19(18)25-12-26-20/h4-5,8-9,12,21H,3,6-7,10-11H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one has a molecular weight of 446.46 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one is sourced from PubChem (CID 59442148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).