2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

C16H21N3 — CID 91803757

IUPAC2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(C)c(N2CCCc3cn(C)nc32)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-8-12(2)15(13(3)9-11)19-7-5-6-14-10-18(4)17-16(14)19/h8-10H,5-7H2,1-4H3
InChIKeyZQAKLLWQZWAIHQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.43
Rot. Bonds1

About 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine (PubChem CID 91803757) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
PubChem CID91803757
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(C)c(N2CCCc3cn(C)nc32)c(C)c1
InChIInChI=1S/C16H21N3/c1-11-8-12(2)15(13(3)9-11)19-7-5-6-14-10-18(4)17-16(14)19/h8-10H,5-7H2,1-4H3
InChIKeyZQAKLLWQZWAIHQ-UHFFFAOYSA-N
XLogP3.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine (CID 91803757) is 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine is Cc1cc(C)c(N2CCCc3cn(C)nc32)c(C)c1.
What is the InChIKey of 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZQAKLLWQZWAIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-8-12(2)15(13(3)9-11)19-7-5-6-14-10-18(4)17-16(14)19/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine has a molecular weight of 255.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 91803757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).