2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one

C19H18F3N5O2 — CID 58494270

IUPAC2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(N3CCC(O)CC3)nc(Nc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)11-2-1-3-12(10-11)24-16-15-14(4-7-23-17(15)29)25-18(26-16)27-8-5-13(28)6-9-27/h1-4,7,10,13,28H,5-6,8-9H2,(H,23,29)(H,24,25,26)
InChIKeyKESYUFNFYLJZHN-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one

2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 58494270) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID58494270
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2nc(N3CCC(O)CC3)nc(Nc3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)11-2-1-3-12(10-11)24-16-15-14(4-7-23-17(15)29)25-18(26-16)27-8-5-13(28)6-9-27/h1-4,7,10,13,28H,5-6,8-9H2,(H,23,29)(H,24,25,26)
InChIKeyKESYUFNFYLJZHN-UHFFFAOYSA-N
XLogP3.04
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

4-(3-methylanilino)-2-[[(3R)-piperidin-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one;bis(2,2,2-trifluoroacetic acid)
CID 44527936
2-(4-aminobutylamino)-4-(3-methylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one;bis(2,2,2-trifluoroacetic acid)
CID 44528140
3-[[2-(3-aminopropylamino)-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl]amino]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 44528330
4-Benzylamino-2-{[4-(4-hydroxypiperidin-1-yl)phenyl]amino}pyrimidine-5-carboxamide
CID 44561428
[4-[[5-oxo-4-[3-(trifluoromethyl)anilino]-8H-pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexyl]azanium
CID 78225410
5-(3-Hydroxypropylamino)-3-methyl-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66958956
7-[4-(4-Ethylpiperazin-1-yl)phenyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959313
5-(3-Hydroxypropylamino)-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959323
7-[3-Fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959345
7-[4-(1-Ethylpiperidin-4-yl)phenyl]-5-(3-hydroxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959351
5-(3-Hydroxypropylamino)-3-methyl-7-(4-piperidin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959721
2-[(Trans-4-Aminocyclohexyl)amino]-4-{[3-(Trifluoromethyl)phenyl]amino}pyrido[4,3-D]pyrimidin-5(6h)-One
CID 58494267

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 58494270) is 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one is O=c1[nH]ccc2nc(N3CCC(O)CC3)nc(Nc3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KESYUFNFYLJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)11-2-1-3-12(10-11)24-16-15-14(4-7-23-17(15)29)25-18(26-16)27-8-5-13(28)6-9-27/h1-4,7,10,13,28H,5-6,8-9H2,(H,23,29)(H,24,25,26).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 405.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-4-[3-(trifluoromethyl)anilino]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 58494270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).