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

C21H19F3N4O2 — CID 23635752

IUPAC1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCNc1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C21H19F3N4O2/c1-25-13-3-5-14(6-4-13)27-12-11-17-18(20(27)29)28(26-19(17)21(22,23)24)15-7-9-16(30-2)10-8-15/h3-10,25H,11-12H2,1-2H3
InChIKeyLRJGICFBUGSISP-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.14
Rot. Bonds4

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

1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 23635752) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID23635752
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCNc1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C21H19F3N4O2/c1-25-13-3-5-14(6-4-13)27-12-11-17-18(20(27)29)28(26-19(17)21(22,23)24)15-7-9-16(30-2)10-8-15/h3-10,25H,11-12H2,1-2H3
InChIKeyLRJGICFBUGSISP-UHFFFAOYSA-N
XLogP4.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 23635752) is 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is CNc1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is LRJGICFBUGSISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-25-13-3-5-14(6-4-13)27-12-11-17-18(20(27)29)28(26-19(17)21(22,23)24)15-7-9-16(30-2)10-8-15/h3-10,25H,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 416.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-(methylamino)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 23635752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).