1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C25H23F3N6O2 — CID 10163755

IUPAC1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCNCc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C25H23F3N6O2/c1-29-15-21-30-12-14-32(21)16-3-5-17(6-4-16)33-13-11-20-22(24(33)35)34(31-23(20)25(26,27)28)18-7-9-19(36-2)10-8-18/h3-10,12,14,29H,11,13,15H2,1-2H3
InChIKeyMJRDRSIQCBQDLH-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10163755) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10163755
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCNCc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1
InChIInChI=1S/C25H23F3N6O2/c1-29-15-21-30-12-14-32(21)16-3-5-17(6-4-16)33-13-11-20-22(24(33)35)34(31-23(20)25(26,27)28)18-7-9-19(36-2)10-8-18/h3-10,12,14,29H,11,13,15H2,1-2H3
InChIKeyMJRDRSIQCBQDLH-UHFFFAOYSA-N
XLogP4.01
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 23635261
1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 10184389
N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]-N-methylacetamide
CID 44581559
7-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]azepin-8-one
CID 22086932
2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]-N,N-dimethylacetamide
CID 59020232
tert-butyl N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]carbamate
CID 23635751
1-(4-methoxyphenyl)-6-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 11155611
6-[4-[2-(aminomethyl)phenyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10228326
1-(4-methoxyphenyl)-6-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 44581592
6-[4-[1-(4,5-dihydro-1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 44581664
1-(4-methoxyphenyl)-6-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 44593413
N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]-2-(methylamino)propanamide
CID 90862770

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10163755) is 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is CNCc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(OC)cc4)c3C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is MJRDRSIQCBQDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c1-29-15-21-30-12-14-32(21)16-3-5-17(6-4-16)33-13-11-20-22(24(33)35)34(31-23(20)25(26,27)28)18-7-9-19(36-2)10-8-18/h3-10,12,14,29H,11,13,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 496.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10163755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).