2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one

C62H48BrF4N5O8 — CID 167564574

IUPAC2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one
SMILESCOc1nc2c(Oc3ccc(CC(=O)C4=C(C)CC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2cc1Br.COc1nc2c(Oc3ccc(CC(=O)C4=C(C)CC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2cc1N
InChIInChI=1S/C31H23BrF2N2O4.C31H25F2N3O4/c1-16-12-17(2)28(30(38)27(16)19-5-7-20(33)8-6-19)24(37)14-18-4-9-25(22(34)13-18)40-26-10-11-35-23-15-21(32)31(39-3)36-29(23)26;1-16-12-17(2)28(30(38)27(16)19-5-7-20(32)8-6-19)24(37)14-18-4-9-25(21(33)13-18)40-26-10-11-35-23-15-22(34)31(39-3)36-29(23)26/h4-11,13,15H,12,14H2,1-3H3;4-11,13,15H,12,14,34H2,1-3H3
InChIKeyFCMUISNPGWKTAK-UHFFFAOYSA-N
MW1146.99 g/mol
LogP13.51
Rot. Bonds14

About 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one

2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one (PubChem CID 167564574) has the molecular formula C62H48BrF4N5O8 and a molecular weight of 1146.99 g/mol. Its IUPAC name is 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one
PubChem CID167564574
Molecular FormulaC62H48BrF4N5O8
Molecular Weight1146.99 g/mol
Exact Mass1145.26
IUPAC Name2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one
SMILESCOc1nc2c(Oc3ccc(CC(=O)C4=C(C)CC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2cc1Br.COc1nc2c(Oc3ccc(CC(=O)C4=C(C)CC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2cc1N
InChIInChI=1S/C31H23BrF2N2O4.C31H25F2N3O4/c1-16-12-17(2)28(30(38)27(16)19-5-7-20(33)8-6-19)24(37)14-18-4-9-25(22(34)13-18)40-26-10-11-35-23-15-21(32)31(39-3)36-29(23)26;1-16-12-17(2)28(30(38)27(16)19-5-7-20(32)8-6-19)24(37)14-18-4-9-25(21(33)13-18)40-26-10-11-35-23-15-22(34)31(39-3)36-29(23)26/h4-11,13,15H,12,14H2,1-3H3;4-11,13,15H,12,14,34H2,1-3H3
InChIKeyFCMUISNPGWKTAK-UHFFFAOYSA-N
XLogP13.51
TPSA182.78 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.99
LogP ≤ 513.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167621785
2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]-1-[6-(4-fluorophenyl)-5-methylpyrazin-2-yl]ethanone
CID 167668825
6-[2-[3-fluoro-4-[(6-methoxy-7-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
CID 167638224
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 167632914
1-(difluoromethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167639336
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one
CID 167532366
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one
CID 167699902
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
CID 167680891
3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one
CID 167631643
N-[8-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-methyl-4-oxo-1H-pyridin-3-yl]-2-oxoethyl]phenoxy]-3-methyl-1,5-naphthyridin-2-yl]methanesulfonamide
CID 167662917
5-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 167629839

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one (CID 167564574) is 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one is COc1nc2c(Oc3ccc(CC(=O)C4=C(C)CC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2cc1Br.COc1nc2c(Oc3ccc(CC(=O)C4=C(C)CC(C)=C(c5ccc(F)cc5)C4=O)cc3F)ccnc2cc1N.
What is the InChIKey of 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one?
The InChIKey is FCMUISNPGWKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23BrF2N2O4.C31H25F2N3O4/c1-16-12-17(2)28(30(38)27(16)19-5-7-20(33)8-6-19)24(37)14-18-4-9-25(22(34)13-18)40-26-10-11-35-23-15-21(32)31(39-3)36-29(23)26;1-16-12-17(2)28(30(38)27(16)19-5-7-20(32)8-6-19)24(37)14-18-4-9-25(21(33)13-18)40-26-10-11-35-23-15-22(34)31(39-3)36-29(23)26/h4-11,13,15H,12,14H2,1-3H3;4-11,13,15H,12,14,34H2,1-3H3.
What are the key properties of 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one?
2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one has a molecular weight of 1146.99 g/mol, XLogP of 13.51, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(7-amino-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one;2-[2-[4-[(7-bromo-6-methoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-3,5-dimethylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 167564574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).