3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine

C58H59BrF6N10O4 — CID 158299303

IUPAC3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine
SMILESC1CNCCN1.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCNCC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.[H][2H]
InChIInChI=1S/C29H28F3N5O2.C25H19BrF3N3O2.C4H10N2.H2/c1-17-4-5-22(15-24(17)25-13-20-16-34-18(2)10-26(20)36(3)28(25)39)35-27(38)19-11-21(29(30,31)32)14-23(12-19)37-8-6-33-7-9-37;1-13-4-5-19(31-23(33)15-7-17(25(27,28)29)10-18(26)8-15)11-20(13)21-9-16-12-30-14(2)6-22(16)32(3)24(21)34;1-2-6-4-3-5-1;/h4-5,10-16,33H,6-9H2,1-3H3,(H,35,38);4-12H,1-3H3,(H,31,33);5-6H,1-4H2;1H/i;;;1+1
InChIKeyGMHOVAFYPJBIKQ-SGNQUONSSA-N
MW1155.07 g/mol
LogP10.57
Rot. Bonds7

About 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine

3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine (PubChem CID 158299303) has the molecular formula C58H59BrF6N10O4 and a molecular weight of 1155.07 g/mol. Its IUPAC name is 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine.

Molecular Properties

Compound Name3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine
PubChem CID158299303
Molecular FormulaC58H59BrF6N10O4
Molecular Weight1155.07 g/mol
Exact Mass1153.39
IUPAC Name3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine
SMILESC1CNCCN1.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCNCC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.[H][2H]
InChIInChI=1S/C29H28F3N5O2.C25H19BrF3N3O2.C4H10N2.H2/c1-17-4-5-22(15-24(17)25-13-20-16-34-18(2)10-26(20)36(3)28(25)39)35-27(38)19-11-21(29(30,31)32)14-23(12-19)37-8-6-33-7-9-37;1-13-4-5-19(31-23(33)15-7-17(25(27,28)29)10-18(26)8-15)11-20(13)21-9-16-12-30-14(2)6-22(16)32(3)24(21)34;1-2-6-4-3-5-1;/h4-5,10-16,33H,6-9H2,1-3H3,(H,35,38);4-12H,1-3H3,(H,31,33);5-6H,1-4H2;1H/i;;;1+1
InChIKeyGMHOVAFYPJBIKQ-SGNQUONSSA-N
XLogP10.57
TPSA167.31 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.07
LogP ≤ 510.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine with MolForge

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Related Compounds

3-bromo-N-[2-(3-methylphenyl)ethyl]-5-(4-pyridin-4-ylpiperazin-1-yl)benzamide;tris(2,2,2-trifluoroacetic acid)
CID 44528456
N-[4-methyl-3-[1-methyl-2-oxo-7-(2-pyridin-4-ylethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 24952423
N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 24952424
N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24952769
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 24953826
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(oxan-4-ylamino)-5-(trifluoromethyl)benzamide
CID 24953828
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 24955259
N-[5-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 24955260
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 24955262
3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 24955624
N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 24955974
7-bromo-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide
CID 53465249

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine?
The IUPAC name of 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine (CID 158299303) is 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine.
What is the SMILES notation for 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine?
The canonical SMILES for 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine is C1CNCCN1.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(N4CCNCC4)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.[H][2H].
What is the InChIKey of 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine?
The InChIKey is GMHOVAFYPJBIKQ-SGNQUONSSA-N. The full InChI is InChI=1S/C29H28F3N5O2.C25H19BrF3N3O2.C4H10N2.H2/c1-17-4-5-22(15-24(17)25-13-20-16-34-18(2)10-26(20)36(3)28(25)39)35-27(38)19-11-21(29(30,31)32)14-23(12-19)37-8-6-33-7-9-37;1-13-4-5-19(31-23(33)15-7-17(25(27,28)29)10-18(26)8-15)11-20(13)21-9-16-12-30-14(2)6-22(16)32(3)24(21)34;1-2-6-4-3-5-1;/h4-5,10-16,33H,6-9H2,1-3H3,(H,35,38);4-12H,1-3H3,(H,31,33);5-6H,1-4H2;1H/i;;;1+1.
What are the key properties of 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine?
3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine has a molecular weight of 1155.07 g/mol, XLogP of 10.57, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-5-(trifluoromethyl)benzamide;deuterium monohydride;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide;piperazine is sourced from PubChem (CID 158299303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).