6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one

C20H21F3N6O3 — CID 170292267

IUPAC6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one
SMILESCn1c(=O)nc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)c2nc(NN)ccc21
InChIInChI=1S/C20H21F3N6O3/c1-28-15-6-7-16(27-24)25-17(15)18(26-19(28)30)29-10-8-13(9-11-29)31-12-2-4-14(5-3-12)32-20(21,22)23/h2-7,13H,8-11,24H2,1H3,(H,25,27)
InChIKeyDIRIETBQLVIDLK-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.56
Rot. Bonds5

About 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one

6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one (PubChem CID 170292267) has the molecular formula C20H21F3N6O3 and a molecular weight of 450.42 g/mol. Its IUPAC name is 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one
PubChem CID170292267
Molecular FormulaC20H21F3N6O3
Molecular Weight450.42 g/mol
Exact Mass450.16
IUPAC Name6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one
SMILESCn1c(=O)nc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)c2nc(NN)ccc21
InChIInChI=1S/C20H21F3N6O3/c1-28-15-6-7-16(27-24)25-17(15)18(26-19(28)30)29-10-8-13(9-11-29)31-12-2-4-14(5-3-12)32-20(21,22)23/h2-7,13H,8-11,24H2,1H3,(H,25,27)
InChIKeyDIRIETBQLVIDLK-UHFFFAOYSA-N
XLogP2.56
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one with MolForge

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Related Compounds

3-fluoro-6-isocyano-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,5-naphthyridin-2-one
CID 160803059
3-bromo-6-isocyano-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,5-naphthyridin-2-one
CID 159992900
4-[3-ethyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156645276
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
4-(3-ethoxypiperidin-1-yl)-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
CID 156556200
4-methyl-5-[1-[6-methyl-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]-1,2,4-triazol-3-amine
CID 169246763
6-chloro-4-[(3S,4R)-3-ethoxy-4-hydroxypiperidin-1-yl]-1-methylpyrido[3,2-d]pyrimidin-2-one
CID 156527371
(5S)-2-amino-5-methyl-5-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-1,3-oxazol-4-one
CID 44511500
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
CID 67529467
3-methyl-5-[[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 163356722

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one (CID 170292267) is 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one is Cn1c(=O)nc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)c2nc(NN)ccc21.
What is the InChIKey of 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one?
The InChIKey is DIRIETBQLVIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3/c1-28-15-6-7-16(27-24)25-17(15)18(26-19(28)30)29-10-8-13(9-11-29)31-12-2-4-14(5-3-12)32-20(21,22)23/h2-7,13H,8-11,24H2,1H3,(H,25,27).
What are the key properties of 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one?
6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one has a molecular weight of 450.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-1-methyl-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]pyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 170292267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).