4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one

C24H24F2N4O2 — CID 123511266

IUPAC4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one
SMILESC=CC(COc1ccn(-c2ccc3c4c(n(C)c3n2)CCNC4)c(=O)c1)=C(F)C=C(C)F
InChIInChI=1S/C24H24F2N4O2/c1-4-16(20(26)11-15(2)25)14-32-17-8-10-30(23(31)12-17)22-6-5-18-19-13-27-9-7-21(19)29(3)24(18)28-22/h4-6,8,10-12,27H,1,7,9,13-14H2,2-3H3
InChIKeyNHWCHQFONCTDQA-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.03
Rot. Bonds6

About 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one

4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one (PubChem CID 123511266) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one
PubChem CID123511266
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one
SMILESC=CC(COc1ccn(-c2ccc3c4c(n(C)c3n2)CCNC4)c(=O)c1)=C(F)C=C(C)F
InChIInChI=1S/C24H24F2N4O2/c1-4-16(20(26)11-15(2)25)14-32-17-8-10-30(23(31)12-17)22-6-5-18-19-13-27-9-7-21(19)29(3)24(18)28-22/h4-6,8,10-12,27H,1,7,9,13-14H2,2-3H3
InChIKeyNHWCHQFONCTDQA-UHFFFAOYSA-N
XLogP4.03
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one with MolForge

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Related Compounds

1-(3-Methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
CID 49868667
4-[(2,4-Difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one
CID 49868668
1-(8-Methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one
CID 49870576
1-(8-Methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-one
CID 49870577
1-(8-Methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]pyridin-2-one
CID 49870578
1-(8-Methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-one
CID 49870579
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 49870580
4-[(2,4-Difluorophenyl)methoxy]-1-(8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 49870706
1-(9-Methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
CID 50902096
1-(9,15-Dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
CID 50902097
4-[(2,4-Difluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50902098
1-(9-Methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 50902100

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one?
The IUPAC name of 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one (CID 123511266) is 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one.
What is the SMILES notation for 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one?
The canonical SMILES for 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one is C=CC(COc1ccn(-c2ccc3c4c(n(C)c3n2)CCNC4)c(=O)c1)=C(F)C=C(C)F.
What is the InChIKey of 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one?
The InChIKey is NHWCHQFONCTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-4-16(20(26)11-15(2)25)14-32-17-8-10-30(23(31)12-17)22-6-5-18-19-13-27-9-7-21(19)29(3)24(18)28-22/h4-6,8,10-12,27H,1,7,9,13-14H2,2-3H3.
What are the key properties of 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one?
4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one has a molecular weight of 438.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenyl-3,5-difluorohexa-2,4-dienoxy)-1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)pyridin-2-one is sourced from PubChem (CID 123511266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).