1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine

C15H15N3 — CID 134120564

IUPAC1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C15H15N3/c1-10-9-13(12-7-5-4-6-8-12)14-11(2)17-18(3)15(14)16-10/h4-9H,1-3H3
InChIKeyBXEKPRDCEBPUSJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.25
Rot. Bonds1

About 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine

1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine (PubChem CID 134120564) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
PubChem CID134120564
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C15H15N3/c1-10-9-13(12-7-5-4-6-8-12)14-11(2)17-18(3)15(14)16-10/h4-9H,1-3H3
InChIKeyBXEKPRDCEBPUSJ-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
1,3,4,6-tetramethylpyrazolo[5,4-b]pyridine
CID 2264673
6-[(3-fluorophenyl)methoxy]-1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridine
CID 50793765
4-(4-bromophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085818
(2S)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethylphenyl)propanamide
CID 94079122
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120
N-(2-chlorophenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxyacetamide
CID 50791355
1-methyl-6-methylsulfanyl-3,4-diphenylpyrazolo[5,4-b]pyridine
CID 169488969
(2R)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 94079192
2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(4-propan-2-ylphenyl)propanamide
CID 50791417
3,6-dimethyl-4-phenyl-[1,2]thiazolo[5,4-b]pyridine
CID 129096994
4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
CID 18778092

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine (CID 134120564) is 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine is Cc1cc(-c2ccccc2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine?
The InChIKey is BXEKPRDCEBPUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-9-13(12-7-5-4-6-8-12)14-11(2)17-18(3)15(14)16-10/h4-9H,1-3H3.
What are the key properties of 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine?
1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine has a molecular weight of 237.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 134120564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).