6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C18H18F3N3 — CID 29091523

IUPAC6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCCc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(C)cc3)c2n1
InChIInChI=1S/C18H18F3N3/c1-4-14-9-15(18(19,20)21)16-12(3)23-24(17(16)22-14)10-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3
InChIKeyWSQBEXGGHNGHSH-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.68
Rot. Bonds3

About 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 29091523) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID29091523
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCCc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(C)cc3)c2n1
InChIInChI=1S/C18H18F3N3/c1-4-14-9-15(18(19,20)21)16-12(3)23-24(17(16)22-14)10-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3
InChIKeyWSQBEXGGHNGHSH-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 29091523) is 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is CCc1cc(C(F)(F)F)c2c(C)nn(Cc3ccc(C)cc3)c2n1.
What is the InChIKey of 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is WSQBEXGGHNGHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c1-4-14-9-15(18(19,20)21)16-12(3)23-24(17(16)22-14)10-13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3.
What are the key properties of 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 333.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 29091523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).