2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide

C29H26F3N5O5 — CID 58630103

IUPAC2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C29H26F3N5O5/c1-35(2)27(39)17-6-8-18(9-7-17)36-13-12-21-24(28(36)40)37(34-25(21)29(30,31)32)23-11-10-19(41-3)15-22(23)26(38)33-16-20-5-4-14-42-20/h4-11,14-15H,12-13,16H2,1-3H3,(H,33,38)
InChIKeyZVABMEMSXDRVGL-UHFFFAOYSA-N
MW581.55 g/mol
LogP4.33
Rot. Bonds7

About 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide (PubChem CID 58630103) has the molecular formula C29H26F3N5O5 and a molecular weight of 581.55 g/mol. Its IUPAC name is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide
PubChem CID58630103
Molecular FormulaC29H26F3N5O5
Molecular Weight581.55 g/mol
Exact Mass581.19
IUPAC Name2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C29H26F3N5O5/c1-35(2)27(39)17-6-8-18(9-7-17)36-13-12-21-24(28(36)40)37(34-25(21)29(30,31)32)23-11-10-19(41-3)15-22(23)26(38)33-16-20-5-4-14-42-20/h4-11,14-15H,12-13,16H2,1-3H3,(H,33,38)
InChIKeyZVABMEMSXDRVGL-UHFFFAOYSA-N
XLogP4.33
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide?
The IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide (CID 58630103) is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide?
The canonical SMILES for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide?
The InChIKey is ZVABMEMSXDRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O5/c1-35(2)27(39)17-6-8-18(9-7-17)36-13-12-21-24(28(36)40)37(34-25(21)29(30,31)32)23-11-10-19(41-3)15-22(23)26(38)33-16-20-5-4-14-42-20/h4-11,14-15H,12-13,16H2,1-3H3,(H,33,38).
What are the key properties of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide?
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide has a molecular weight of 581.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(furan-2-ylmethyl)-5-methoxybenzamide is sourced from PubChem (CID 58630103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).