8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine

C26H19F5N4O2 — CID 139552582

IUPAC8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine
SMILESC=C1C(c2ccc(OC(F)F)cc2)=c2nc(OCC(F)(F)F)ccc2=CN1c1ccc2ncn(C)c2c1
InChIInChI=1S/C26H19F5N4O2/c1-15-23(16-3-7-19(8-4-16)37-25(27)28)24-17(5-10-22(33-24)36-13-26(29,30)31)12-35(15)18-6-9-20-21(11-18)34(2)14-32-20/h3-12,14,25H,1,13H2,2H3
InChIKeyYUMYDWWVEYVPPK-UHFFFAOYSA-N
MW514.45 g/mol
LogP4.48
Rot. Bonds6

About 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine

8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine (PubChem CID 139552582) has the molecular formula C26H19F5N4O2 and a molecular weight of 514.45 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine
PubChem CID139552582
Molecular FormulaC26H19F5N4O2
Molecular Weight514.45 g/mol
Exact Mass514.14
IUPAC Name8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine
SMILESC=C1C(c2ccc(OC(F)F)cc2)=c2nc(OCC(F)(F)F)ccc2=CN1c1ccc2ncn(C)c2c1
InChIInChI=1S/C26H19F5N4O2/c1-15-23(16-3-7-19(8-4-16)37-25(27)28)24-17(5-10-22(33-24)36-13-26(29,30)31)12-35(15)18-6-9-20-21(11-18)34(2)14-32-20/h3-12,14,25H,1,13H2,2H3
InChIKeyYUMYDWWVEYVPPK-UHFFFAOYSA-N
XLogP4.48
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone
CID 176546188
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-7-one
CID 156805234
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805218
3-[4-(difluoromethoxy)phenyl]-5-[(1Z,3Z)-3-ethoxyhexa-1,3-dienyl]-4-methyl-1-(3-methylbenzimidazol-5-yl)pyridin-2-one
CID 139552167
4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182306
4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182169
4-[4-(difluoromethoxy)phenyl]-6-(2-methylindazol-5-yl)-2-(2,2,2-trifluoroethoxy)-8H-pteridin-7-one
CID 175801000
4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-5-(3,3,3-trifluoropropyl)pyrrolo[3,2-c]pyridazin-3-one
CID 163385332
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
CID 172698772
4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182236

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine (CID 139552582) is 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine is C=C1C(c2ccc(OC(F)F)cc2)=c2nc(OCC(F)(F)F)ccc2=CN1c1ccc2ncn(C)c2c1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine?
The InChIKey is YUMYDWWVEYVPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F5N4O2/c1-15-23(16-3-7-19(8-4-16)37-25(27)28)24-17(5-10-22(33-24)36-13-26(29,30)31)12-35(15)18-6-9-20-21(11-18)34(2)14-32-20/h3-12,14,25H,1,13H2,2H3.
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine?
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine has a molecular weight of 514.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-7-methylidene-2-(2,2,2-trifluoroethoxy)-1,6-naphthyridine is sourced from PubChem (CID 139552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).