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

C19H22F3N7O — CID 155786470

IUPAC5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCN(CC(F)(F)F)C1CCC(n2ncc3cc(-n4ccnc4)nc(C(N)=O)c32)CC1
InChIInChI=1S/C19H22F3N7O/c1-27(10-19(20,21)22)13-2-4-14(5-3-13)29-17-12(9-25-29)8-15(26-16(17)18(23)30)28-7-6-24-11-28/h6-9,11,13-14H,2-5,10H2,1H3,(H2,23,30)
InChIKeyVVXFYYRZVCUUOH-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.69
Rot. Bonds5

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

5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide (PubChem CID 155786470) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide
PubChem CID155786470
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC Name5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide
SMILESCN(CC(F)(F)F)C1CCC(n2ncc3cc(-n4ccnc4)nc(C(N)=O)c32)CC1
InChIInChI=1S/C19H22F3N7O/c1-27(10-19(20,21)22)13-2-4-14(5-3-13)29-17-12(9-25-29)8-15(26-16(17)18(23)30)28-7-6-24-11-28/h6-9,11,13-14H,2-5,10H2,1H3,(H2,23,30)
InChIKeyVVXFYYRZVCUUOH-UHFFFAOYSA-N
XLogP2.69
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(1R)-1-hydroxyethyl]cyclohexyl]-5-imidazol-1-ylpyrazolo[3,4-c]pyridine-7-carboxamide
CID 155786350
3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 175982229
5-imidazol-1-yl-N-[4-[(2,2,2-trifluoroethylamino)methyl]cyclohexyl]-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155786248
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
N-ethyl-6-imidazol-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102719535
methyl 5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxylate
CID 155786434
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methyl-1-(3-methylsulfanylcyclopentyl)urea
CID 71920804
6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719533
6-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexylidene]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 156885949
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 175222124
4-bromo-6-imidazol-1-ylpyridine-2-carboxamide;ethane;2-methoxyethoxycyclohexane
CID 156885791

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide?
The IUPAC name of 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide (CID 155786470) is 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide?
The canonical SMILES for 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide is CN(CC(F)(F)F)C1CCC(n2ncc3cc(-n4ccnc4)nc(C(N)=O)c32)CC1.
What is the InChIKey of 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide?
The InChIKey is VVXFYYRZVCUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O/c1-27(10-19(20,21)22)13-2-4-14(5-3-13)29-17-12(9-25-29)8-15(26-16(17)18(23)30)28-7-6-24-11-28/h6-9,11,13-14H,2-5,10H2,1H3,(H2,23,30).
What are the key properties of 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide?
5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]pyrazolo[3,4-c]pyridine-7-carboxamide is sourced from PubChem (CID 155786470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).