5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C17H17F3N6O — CID 155786510

IUPAC5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)11-1-3-12(4-2-11)23-16(27)15-14-10(8-22-25-14)7-13(24-15)26-6-5-21-9-26/h5-9,11-12H,1-4H2,(H,22,25)(H,23,27)
InChIKeyUOQSUZJYNFJELF-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.99
Rot. Bonds3

About 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786510) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786510
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)11-1-3-12(4-2-11)23-16(27)15-14-10(8-22-25-14)7-13(24-15)26-6-5-21-9-26/h5-9,11-12H,1-4H2,(H,22,25)(H,23,27)
InChIKeyUOQSUZJYNFJELF-UHFFFAOYSA-N
XLogP2.99
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786510) is 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1nc(-n2ccnc2)cc2cn[nH]c12.
What is the InChIKey of 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is UOQSUZJYNFJELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)11-1-3-12(4-2-11)23-16(27)15-14-10(8-22-25-14)7-13(24-15)26-6-5-21-9-26/h5-9,11-12H,1-4H2,(H,22,25)(H,23,27).
What are the key properties of 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).