1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide

C18H15F3N4O3 — CID 166272118

IUPAC1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCn1ncc2c1CCN(C(=O)c1c(C(F)(F)F)oc3ccccc13)C2C(N)=O
InChIInChI=1S/C18H15F3N4O3/c1-24-11-6-7-25(14(16(22)26)10(11)8-23-24)17(27)13-9-4-2-3-5-12(9)28-15(13)18(19,20)21/h2-5,8,14H,6-7H2,1H3,(H2,22,26)
InChIKeyBZQDEVDVFFJVPG-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.41
Rot. Bonds2

About 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide

1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide (PubChem CID 166272118) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
PubChem CID166272118
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide
SMILESCn1ncc2c1CCN(C(=O)c1c(C(F)(F)F)oc3ccccc13)C2C(N)=O
InChIInChI=1S/C18H15F3N4O3/c1-24-11-6-7-25(14(16(22)26)10(11)8-23-24)17(27)13-9-4-2-3-5-12(9)28-15(13)18(19,20)21/h2-5,8,14H,6-7H2,1H3,(H2,22,26)
InChIKeyBZQDEVDVFFJVPG-UHFFFAOYSA-N
XLogP2.41
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide (CID 166272118) is 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide is Cn1ncc2c1CCN(C(=O)c1c(C(F)(F)F)oc3ccccc13)C2C(N)=O.
What is the InChIKey of 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
The InChIKey is BZQDEVDVFFJVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-24-11-6-7-25(14(16(22)26)10(11)8-23-24)17(27)13-9-4-2-3-5-12(9)28-15(13)18(19,20)21/h2-5,8,14H,6-7H2,1H3,(H2,22,26).
What are the key properties of 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide?
1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(trifluoromethyl)-1-benzofuran-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 166272118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).