N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H18F3N5O2 — CID 169120185

IUPACN-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCC(O)CC3)nc2cn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)16-3-1-2-14(24-16)18(29)25-17-8-11-10-27(26-15(11)9-23-17)12-4-6-13(28)7-5-12/h1-3,8-10,12-13,28H,4-7H2,(H,25,29)
InChIKeyGTIRDGQEMOXTOD-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.57
Rot. Bonds3

About N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 169120185) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID169120185
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC NameN-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCC(O)CC3)nc2cn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)16-3-1-2-14(24-16)18(29)25-17-8-11-10-27(26-15(11)9-23-17)12-4-6-13(28)7-5-12/h1-3,8-10,12-13,28H,4-7H2,(H,25,29)
InChIKeyGTIRDGQEMOXTOD-UHFFFAOYSA-N
XLogP3.57
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163400019
N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448667
N-[2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163399893
N-[2-[4-[[4-[5-fluoro-1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156484
N-[2-[4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167107402
N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156302
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[6-(dimethylamino)-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567015
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 169120185) is N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(C3CCC(O)CC3)nc2cn1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GTIRDGQEMOXTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)16-3-1-2-14(24-16)18(29)25-17-8-11-10-27(26-15(11)9-23-17)12-4-6-13(28)7-5-12/h1-3,8-10,12-13,28H,4-7H2,(H,25,29).
What are the key properties of N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxycyclohexyl)pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 169120185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).