3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C25H19F3N6O2 — CID 160767905

IUPAC3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1
InChIInChI=1S/C25H19F3N6O2/c1-14(35)8-21-30-10-15(11-31-21)19-6-7-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(9-18)25(26,27)28/h3-7,9-12H,8,13H2,1-2H3
InChIKeyXRAJADZATLFGCC-UHFFFAOYSA-N
MW492.46 g/mol
LogP4.94
Rot. Bonds4

About 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 160767905) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
PubChem CID160767905
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
SMILESCC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1
InChIInChI=1S/C25H19F3N6O2/c1-14(35)8-21-30-10-15(11-31-21)19-6-7-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(9-18)25(26,27)28/h3-7,9-12H,8,13H2,1-2H3
InChIKeyXRAJADZATLFGCC-UHFFFAOYSA-N
XLogP4.94
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44587934
N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
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N-(3-(1,1-difluoroethyl)phenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54582546
N-(3-(1-fluoroethyl)phenyl)-2-(pyridin-3-yl)-4-o-tolyl-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 54583517
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CID 57442001
3-[[7-[6-(Dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]propanamide
CID 66555697
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CID 68310172
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 124114324
1-[(2S)-4-(5-fluoro-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]-4-quinazolin-5-ylbutan-1-one
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4-(2,3-dimethylquinoxalin-6-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 166632956
1-(1-Acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379496
8-[6-(Dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379542

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 160767905) is 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.
What is the InChIKey of 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
The InChIKey is XRAJADZATLFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-14(35)8-21-30-10-15(11-31-21)19-6-7-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(9-18)25(26,27)28/h3-7,9-12H,8,13H2,1-2H3.
What are the key properties of 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?
3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 492.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 160767905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).