1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine

C26H27F3N6O — CID 23398287

IUPAC1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2CN(c2ccc(-c4nccn4CN(C)C)cc2)CC3)cc1
InChIInChI=1S/C26H27F3N6O/c1-32(2)17-34-15-13-30-25(34)18-4-6-19(7-5-18)33-14-12-22-23(16-33)35(31-24(22)26(27,28)29)20-8-10-21(36-3)11-9-20/h4-11,13,15H,12,14,16-17H2,1-3H3
InChIKeyIUIRTPVCYOBRDZ-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.84
Rot. Bonds6

About 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine

1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine (PubChem CID 23398287) has the molecular formula C26H27F3N6O and a molecular weight of 496.54 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine
PubChem CID23398287
Molecular FormulaC26H27F3N6O
Molecular Weight496.54 g/mol
Exact Mass496.22
IUPAC Name1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2CN(c2ccc(-c4nccn4CN(C)C)cc2)CC3)cc1
InChIInChI=1S/C26H27F3N6O/c1-32(2)17-34-15-13-30-25(34)18-4-6-19(7-5-18)33-14-12-22-23(16-33)35(31-24(22)26(27,28)29)20-8-10-21(36-3)11-9-20/h4-11,13,15H,12,14,16-17H2,1-3H3
InChIKeyIUIRTPVCYOBRDZ-UHFFFAOYSA-N
XLogP4.84
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

E-2212
CID 46854987
Ksq-4279
CID 150782011
2,4-Disubstituted Pyrimidine 2g
CID 5329420
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine (CID 23398287) is 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine is COc1ccc(-n2nc(C(F)(F)F)c3c2CN(c2ccc(-c4nccn4CN(C)C)cc2)CC3)cc1.
What is the InChIKey of 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine?
The InChIKey is IUIRTPVCYOBRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O/c1-32(2)17-34-15-13-30-25(34)18-4-6-19(7-5-18)33-14-12-22-23(16-33)35(31-24(22)26(27,28)29)20-8-10-21(36-3)11-9-20/h4-11,13,15H,12,14,16-17H2,1-3H3.
What are the key properties of 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine?
1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine has a molecular weight of 496.54 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23398287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).