4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine

C19H18F3N5O — CID 171324328

IUPAC4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1cc(OCC2CCN(c3ncnc4cnccc34)CC2)ccn1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)17-9-14(1-6-24-17)28-11-13-3-7-27(8-4-13)18-15-2-5-23-10-16(15)25-12-26-18/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2
InChIKeyVYDIPGAKJXDGTJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.73
Rot. Bonds4

About 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 171324328) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID171324328
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1cc(OCC2CCN(c3ncnc4cnccc34)CC2)ccn1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)17-9-14(1-6-24-17)28-11-13-3-7-27(8-4-13)18-15-2-5-23-10-16(15)25-12-26-18/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2
InChIKeyVYDIPGAKJXDGTJ-UHFFFAOYSA-N
XLogP3.73
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163345001
2-[(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 171334425
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105168
2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 171704830
5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 171324061
3-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943782
5-bromo-N-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-2-amine
CID 171328908
5-bromo-2-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 171702364
2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
CID 171702215
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154583110

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine (CID 171324328) is 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine is FC(F)(F)c1cc(OCC2CCN(c3ncnc4cnccc34)CC2)ccn1.
What is the InChIKey of 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is VYDIPGAKJXDGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)17-9-14(1-6-24-17)28-11-13-3-7-27(8-4-13)18-15-2-5-23-10-16(15)25-12-26-18/h1-2,5-6,9-10,12-13H,3-4,7-8,11H2.
What are the key properties of 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 389.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 171324328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).