6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C30H26F3N7O2 — CID 135740053

IUPAC6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1
InChIInChI=1S/C30H26F3N7O2/c1-38(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)39-15-14-24-25(28(39)41)40(37-26(24)30(31,32)33)22-8-5-7-19(16-22)27-34-29(42)36-35-27/h3-13,16H,14-15,17H2,1-2H3,(H2,34,35,36,42)
InChIKeyXTWWNKNLOIVLSM-UHFFFAOYSA-N
MW573.58 g/mol
LogP4.90
Rot. Bonds6

About 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 135740053) has the molecular formula C30H26F3N7O2 and a molecular weight of 573.58 g/mol. Its IUPAC name is 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID135740053
Molecular FormulaC30H26F3N7O2
Molecular Weight573.58 g/mol
Exact Mass573.21
IUPAC Name6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1
InChIInChI=1S/C30H26F3N7O2/c1-38(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)39-15-14-24-25(28(39)41)40(37-26(24)30(31,32)33)22-8-5-7-19(16-22)27-34-29(42)36-35-27/h3-13,16H,14-15,17H2,1-2H3,(H2,34,35,36,42)
InChIKeyXTWWNKNLOIVLSM-UHFFFAOYSA-N
XLogP4.90
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.58
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Related Compounds

3-[6-{2'-[(Dimethylamino)methyl]biphenyl-4-Yl}-7-Oxo-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Pyrazolo[3,4-C]pyridin-1-Yl]benzamide
CID 9549214
1-(3-(5-Oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-YL)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-C]pyridin-7(4H)-one
CID 135740054
(R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one
CID 136066129
6-(2'-(Methylsulfonyl)biphenyl-4-YL)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-C]pyridin-7(4H)-one
CID 135740055
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide
CID 10623965
FXa-IN-1
CID 11755188
7-Oxo-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 135740057
2-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 23646172
3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]benzonitrile
CID 23646173
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(3-nitrophenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646174
1-(3-aminophenyl)-6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646175
N-{3-[6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}acetamide
CID 23646176

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 135740053) is 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1.
What is the InChIKey of 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is XTWWNKNLOIVLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N7O2/c1-38(2)17-20-6-3-4-9-23(20)18-10-12-21(13-11-18)39-15-14-24-25(28(39)41)40(37-26(24)30(31,32)33)22-8-5-7-19(16-22)27-34-29(42)36-35-27/h3-13,16H,14-15,17H2,1-2H3,(H2,34,35,36,42).
What are the key properties of 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 573.58 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 135740053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).