3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one

C22H24F3N7O2 — CID 165400728

IUPAC3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one
SMILESCOc1nc2c(cc1Nc1ncc(C(F)(F)F)c(NCc3cccn(C)c3=O)n1)CN(C)CC2
InChIInChI=1S/C22H24F3N7O2/c1-31-8-6-16-14(12-31)9-17(19(28-16)34-3)29-21-27-11-15(22(23,24)25)18(30-21)26-10-13-5-4-7-32(2)20(13)33/h4-5,7,9,11H,6,8,10,12H2,1-3H3,(H2,26,27,29,30)
InChIKeyWMYYUIUYWXAPBD-UHFFFAOYSA-N
MW475.48 g/mol
LogP2.94
Rot. Bonds6

About 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one

3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one (PubChem CID 165400728) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one
PubChem CID165400728
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC Name3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one
SMILESCOc1nc2c(cc1Nc1ncc(C(F)(F)F)c(NCc3cccn(C)c3=O)n1)CN(C)CC2
InChIInChI=1S/C22H24F3N7O2/c1-31-8-6-16-14(12-31)9-17(19(28-16)34-3)29-21-27-11-15(22(23,24)25)18(30-21)26-10-13-5-4-7-32(2)20(13)33/h4-5,7,9,11H,6,8,10,12H2,1-3H3,(H2,26,27,29,30)
InChIKeyWMYYUIUYWXAPBD-UHFFFAOYSA-N
XLogP2.94
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

2-[[5-chloro-2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzamide
CID 167216952
4-[[[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71143441
2-[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]quinazolin-8-yl]-N-methylbenzamide
CID 163272413
8-N-cyclopentyl-2-N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 167049862
3-[[5-chloro-4-(2-dimethylphosphanyloxy-4-fluorosulfonyloxyanilino)pyrimidin-2-yl]amino]-2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 170078380
4-[[[2-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3,3-dimethyl-1H-indol-2-one
CID 57406035
4-[[[2-[4-[4-[1-(2-hydroxyethyl)piperidin-4-yl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1,3-dihydroindol-2-one
CID 71143480
1-[(2S)-2-[[6-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 165172003
1-[3-[[2-(2-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one
CID 174335076
N-[4-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 155462268
4-[[[2-[4-[4-[4-(dimethylamino)piperidin-1-yl]piperidin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1,3-dihydroindol-2-one
CID 57407126
1-[4-[3-methoxy-4-[[4-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 118121590

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one (CID 165400728) is 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one is COc1nc2c(cc1Nc1ncc(C(F)(F)F)c(NCc3cccn(C)c3=O)n1)CN(C)CC2.
What is the InChIKey of 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one?
The InChIKey is WMYYUIUYWXAPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c1-31-8-6-16-14(12-31)9-17(19(28-16)34-3)29-21-27-11-15(22(23,24)25)18(30-21)26-10-13-5-4-7-32(2)20(13)33/h4-5,7,9,11H,6,8,10,12H2,1-3H3,(H2,26,27,29,30).
What are the key properties of 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one?
3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one has a molecular weight of 475.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 165400728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).