6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

C20H20F3N5O2 — CID 24735398

IUPAC6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
SMILESCOc1ccnc(N2CCC(Cn3ccc4nc(C(F)(F)F)ccc4c3=O)CC2)n1
InChIInChI=1S/C20H20F3N5O2/c1-30-17-4-8-24-19(26-17)27-9-5-13(6-10-27)12-28-11-7-15-14(18(28)29)2-3-16(25-15)20(21,22)23/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyYDNMJLCXFFLGSY-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.13
Rot. Bonds4

About 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one

6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one (PubChem CID 24735398) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
PubChem CID24735398
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
SMILESCOc1ccnc(N2CCC(Cn3ccc4nc(C(F)(F)F)ccc4c3=O)CC2)n1
InChIInChI=1S/C20H20F3N5O2/c1-30-17-4-8-24-19(26-17)27-9-5-13(6-10-27)12-28-11-7-15-14(18(28)29)2-3-16(25-15)20(21,22)23/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3
InChIKeyYDNMJLCXFFLGSY-UHFFFAOYSA-N
XLogP3.13
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one with MolForge

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Related Compounds

4-(4,6-Dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
CID 139594541
[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
5-[[4-[(4-Methoxy-2-pyridinyl)amino]-1-piperidinyl]carbonyl]-2-pyridinecarbonitrile
CID 56659435
(3-Fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
US11377438, Example 2
CID 146526012
{3-[6-(4-Ethoxy-pyridin-2-ylamino)-2-methyl-pyrimidin-4-yl]-piperidin-1-yl}-phenyl-methanone
CID 86342068
1-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 53590520
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 53591983
[2-(6-Methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97449621
[2-(6-Methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 118742924
US10894788, Example 37
CID 153314083
1-(4,6-Dimethoxypyrimidine-2-yl)-7-trifluoromethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 91140958

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one (CID 24735398) is 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one is COc1ccnc(N2CCC(Cn3ccc4nc(C(F)(F)F)ccc4c3=O)CC2)n1.
What is the InChIKey of 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
The InChIKey is YDNMJLCXFFLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-30-17-4-8-24-19(26-17)27-9-5-13(6-10-27)12-28-11-7-15-14(18(28)29)2-3-16(25-15)20(21,22)23/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3.
What are the key properties of 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one?
6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one has a molecular weight of 419.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 24735398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).