5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C17H12F3N7O2 — CID 155598627

IUPAC5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C17H12F3N7O2/c18-17(19,20)8-29-13-2-1-11(7-22-13)24-16(28)15-14-10(6-23-26-14)5-12(25-15)27-4-3-21-9-27/h1-7,9H,8H2,(H,23,26)(H,24,28)
InChIKeyJKHNTSJUMATJLO-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.73
Rot. Bonds5

About 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155598627) has the molecular formula C17H12F3N7O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155598627
Molecular FormulaC17H12F3N7O2
Molecular Weight403.32 g/mol
Exact Mass403.10
IUPAC Name5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C17H12F3N7O2/c18-17(19,20)8-29-13-2-1-11(7-22-13)24-16(28)15-14-10(6-23-26-14)5-12(25-15)27-4-3-21-9-27/h1-7,9H,8H2,(H,23,26)(H,24,28)
InChIKeyJKHNTSJUMATJLO-UHFFFAOYSA-N
XLogP2.73
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155598627) is 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is JKHNTSJUMATJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2/c18-17(19,20)8-29-13-2-1-11(7-22-13)24-16(28)15-14-10(6-23-26-14)5-12(25-15)27-4-3-21-9-27/h1-7,9H,8H2,(H,23,26)(H,24,28).
What are the key properties of 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155598627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).