1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C25H25F3N4O2 — CID 23635386

IUPAC1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4)cc2)CC3)cc1
InChIInChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23(29-32)25(26,27)28)13-16-31(24(22)33)18-7-5-17(6-8-18)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3
InChIKeyOALCVKVJNNZBEH-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.09
Rot. Bonds4

About 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 23635386) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID23635386
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4)cc2)CC3)cc1
InChIInChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23(29-32)25(26,27)28)13-16-31(24(22)33)18-7-5-17(6-8-18)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3
InChIKeyOALCVKVJNNZBEH-UHFFFAOYSA-N
XLogP5.09
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 23635386) is 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is OALCVKVJNNZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-34-20-11-9-19(10-12-20)32-22-21(23(29-32)25(26,27)28)13-16-31(24(22)33)18-7-5-17(6-8-18)30-14-3-2-4-15-30/h5-12H,2-4,13-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 470.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-(4-piperidin-1-ylphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 23635386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).