5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

C19H22F3N7O — CID 155786431

IUPAC5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCN(CC(F)(F)F)C1CCC(NC(=O)c2nc(-n3ccnc3)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H22F3N7O/c1-28(10-19(20,21)22)14-4-2-13(3-5-14)25-18(30)17-16-12(9-24-27-16)8-15(26-17)29-7-6-23-11-29/h6-9,11,13-14H,2-5,10H2,1H3,(H,24,27)(H,25,30)
InChIKeyAKZFAIJXMIUHRU-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.68
Rot. Bonds5

About 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide

5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786431) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786431
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC Name5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCN(CC(F)(F)F)C1CCC(NC(=O)c2nc(-n3ccnc3)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H22F3N7O/c1-28(10-19(20,21)22)14-4-2-13(3-5-14)25-18(30)17-16-12(9-24-27-16)8-15(26-17)29-7-6-23-11-29/h6-9,11,13-14H,2-5,10H2,1H3,(H,24,27)(H,25,30)
InChIKeyAKZFAIJXMIUHRU-UHFFFAOYSA-N
XLogP2.68
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786431) is 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is CN(CC(F)(F)F)C1CCC(NC(=O)c2nc(-n3ccnc3)cc3cn[nH]c23)CC1.
What is the InChIKey of 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is AKZFAIJXMIUHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O/c1-28(10-19(20,21)22)14-4-2-13(3-5-14)25-18(30)17-16-12(9-24-27-16)8-15(26-17)29-7-6-23-11-29/h6-9,11,13-14H,2-5,10H2,1H3,(H,24,27)(H,25,30).
What are the key properties of 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide?
5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-N-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).