1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C21H23F3N4O3 — CID 10365727

IUPAC1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(CCC(=O)N2CCCC2)CC3)cc1
InChIInChI=1S/C21H23F3N4O3/c1-31-15-6-4-14(5-7-15)28-18-16(19(25-28)21(22,23)24)8-12-27(20(18)30)13-9-17(29)26-10-2-3-11-26/h4-7H,2-3,8-13H2,1H3
InChIKeySJJPYLNVGSOREA-UHFFFAOYSA-N
MW436.43 g/mol
LogP2.91
Rot. Bonds5

About 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10365727) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10365727
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(CCC(=O)N2CCCC2)CC3)cc1
InChIInChI=1S/C21H23F3N4O3/c1-31-15-6-4-14(5-7-15)28-18-16(19(25-28)21(22,23)24)8-12-27(20(18)30)13-9-17(29)26-10-2-3-11-26/h4-7H,2-3,8-13H2,1H3
InChIKeySJJPYLNVGSOREA-UHFFFAOYSA-N
XLogP2.91
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10365727) is 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(CCC(=O)N2CCCC2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is SJJPYLNVGSOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-31-15-6-4-14(5-7-15)28-18-16(19(25-28)21(22,23)24)8-12-27(20(18)30)13-9-17(29)26-10-2-3-11-26/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 436.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10365727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).