4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one

C22H13BrF5N3O2 — CID 177182182

IUPAC4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESNc1c(-c2ccc(Br)cc2)c(=O)n(-c2ccc(OC(F)F)cc2)c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C22H13BrF5N3O2/c23-13-3-1-11(2-4-13)17-18(29)19-16(9-12(10-30-19)22(26,27)28)31(20(17)32)14-5-7-15(8-6-14)33-21(24)25/h1-10,21H,29H2
InChIKeyHDMGBFXEYWHBCE-UHFFFAOYSA-N
MW526.26 g/mol
LogP6.02
Rot. Bonds4

About 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one

4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one (PubChem CID 177182182) has the molecular formula C22H13BrF5N3O2 and a molecular weight of 526.26 g/mol. Its IUPAC name is 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
PubChem CID177182182
Molecular FormulaC22H13BrF5N3O2
Molecular Weight526.26 g/mol
Exact Mass525.01
IUPAC Name4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESNc1c(-c2ccc(Br)cc2)c(=O)n(-c2ccc(OC(F)F)cc2)c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C22H13BrF5N3O2/c23-13-3-1-11(2-4-13)17-18(29)19-16(9-12(10-30-19)22(26,27)28)31(20(17)32)14-5-7-15(8-6-14)33-21(24)25/h1-10,21H,29H2
InChIKeyHDMGBFXEYWHBCE-UHFFFAOYSA-N
XLogP6.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.26
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182236
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
CID 177182274
4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182169
4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182306
2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253622
1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175503604
5-[4-(difluoromethoxy)phenyl]-7-quinolin-6-yl-3-(trifluoromethyl)-5H-1,7-naphthyridine-6,8-dione
CID 177182199
5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 164562813
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
5-bromo-3-[4-(difluoromethoxy)phenyl]-1H-benzimidazole-2-thione
CID 65347424

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one (CID 177182182) is 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one is Nc1c(-c2ccc(Br)cc2)c(=O)n(-c2ccc(OC(F)F)cc2)c2cc(C(F)(F)F)cnc12.
What is the InChIKey of 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The InChIKey is HDMGBFXEYWHBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF5N3O2/c23-13-3-1-11(2-4-13)17-18(29)19-16(9-12(10-30-19)22(26,27)28)31(20(17)32)14-5-7-15(8-6-14)33-21(24)25/h1-10,21H,29H2.
What are the key properties of 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one has a molecular weight of 526.26 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 177182182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).