4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide

C24H23F3N4O4 — CID 163216676

IUPAC4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccc(C(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O4/c1-31(2)23(33)14-4-5-15(18(8-14)24(25,26)27)12-35-19-7-6-13(9-20(19)34-3)16-10-21(32)29-22-17(16)11-28-30-22/h4-9,11,16H,10,12H2,1-3H3,(H2,28,29,30,32)
InChIKeyGVNZSYVQAHFGLX-UHFFFAOYSA-N
MW488.47 g/mol
LogP4.19
Rot. Bonds6

About 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide

4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide (PubChem CID 163216676) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
PubChem CID163216676
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccc(C(=O)N(C)C)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O4/c1-31(2)23(33)14-4-5-15(18(8-14)24(25,26)27)12-35-19-7-6-13(9-20(19)34-3)16-10-21(32)29-22-17(16)11-28-30-22/h4-9,11,16H,10,12H2,1-3H3,(H2,28,29,30,32)
InChIKeyGVNZSYVQAHFGLX-UHFFFAOYSA-N
XLogP4.19
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide (CID 163216676) is 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide is COc1cc(C2CC(=O)Nc3[nH]ncc32)ccc1OCc1ccc(C(=O)N(C)C)cc1C(F)(F)F.
What is the InChIKey of 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The InChIKey is GVNZSYVQAHFGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-31(2)23(33)14-4-5-15(18(8-14)24(25,26)27)12-35-19-7-6-13(9-20(19)34-3)16-10-21(32)29-22-17(16)11-28-30-22/h4-9,11,16H,10,12H2,1-3H3,(H2,28,29,30,32).
What are the key properties of 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-4-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]methyl]-N,N-dimethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 163216676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).