8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one

C25H22F2N6O4 — CID 167273113

IUPAC8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
SMILESCCOc1ncc2nc(-c3ccc4nc(COC)n(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C25H22F2N6O4/c1-4-36-25-28-12-18-22(31-25)33(15-6-8-16(9-7-15)37-24(26)27)23(34)21(30-18)14-5-10-17-19(11-14)32(2)20(29-17)13-35-3/h5-12,24H,4,13H2,1-3H3
InChIKeyGFIVQVVPPNRHTR-UHFFFAOYSA-N
MW508.49 g/mol
LogP3.88
Rot. Bonds8

About 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one

8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one (PubChem CID 167273113) has the molecular formula C25H22F2N6O4 and a molecular weight of 508.49 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
PubChem CID167273113
Molecular FormulaC25H22F2N6O4
Molecular Weight508.49 g/mol
Exact Mass508.17
IUPAC Name8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
SMILESCCOc1ncc2nc(-c3ccc4nc(COC)n(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C25H22F2N6O4/c1-4-36-25-28-12-18-22(31-25)33(15-6-8-16(9-7-15)37-24(26)27)23(34)21(30-18)14-5-10-17-19(11-14)32(2)20(29-17)13-35-3/h5-12,24H,4,13H2,1-3H3
InChIKeyGFIVQVVPPNRHTR-UHFFFAOYSA-N
XLogP3.88
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[(1-methylcyclopropyl)methoxymethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156805197
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-[[1-(3-fluoropropyl)azetidin-3-yl]oxymethyl]-3-methylbenzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 166647843
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156805214
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
CID 175835407
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-[2-(2-hydroxyethylamino)ethyl]-3-methylbenzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 166647868
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[3-methyl-2-[[methyl(oxetan-3-ylmethyl)amino]methyl]benzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 156805153
2-methoxy-6-(4-methoxyphenyl)-8-phenylpteridin-7-one
CID 3234042
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]pteridin-7-one
CID 172703021
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
8-(4-chlorophenyl)-6-[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]-2-(2,2,2-trifluoroethylamino)pteridin-7-one
CID 166523743
2-ethoxy-6-[2-(2-hydroxypropan-2-yl)-3-methylbenzimidazol-5-yl]-8-[[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pteridin-7-one
CID 174031024

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one (CID 167273113) is 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one is CCOc1ncc2nc(-c3ccc4nc(COC)n(C)c4c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one?
The InChIKey is GFIVQVVPPNRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O4/c1-4-36-25-28-12-18-22(31-25)33(15-6-8-16(9-7-15)37-24(26)27)23(34)21(30-18)14-5-10-17-19(11-14)32(2)20(29-17)13-35-3/h5-12,24H,4,13H2,1-3H3.
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one?
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one has a molecular weight of 508.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one is sourced from PubChem (CID 167273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).