6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C18H20F3N3 — CID 29090990

IUPAC6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21
InChIInChI=1S/C18H20F3N3/c1-24-16-13(9-22-24)14(18(19,20)21)5-15(23-16)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,9-12H,2-4,6-8H2,1H3
InChIKeyTUFJLSINXSBIFP-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.45
Rot. Bonds1

About 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090990) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090990
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21
InChIInChI=1S/C18H20F3N3/c1-24-16-13(9-22-24)14(18(19,20)21)5-15(23-16)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,9-12H,2-4,6-8H2,1H3
InChIKeyTUFJLSINXSBIFP-UHFFFAOYSA-N
XLogP4.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090990) is 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cn1ncc2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21.
What is the InChIKey of 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is TUFJLSINXSBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c1-24-16-13(9-22-24)14(18(19,20)21)5-15(23-16)17-6-10-2-11(7-17)4-12(3-10)8-17/h5,9-12H,2-4,6-8H2,1H3.
What are the key properties of 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 335.37 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).