1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine

C20H16ClN3 — CID 17309001

IUPAC1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(C)nn(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C20H16ClN3/c1-13-11-18(15-7-4-3-5-8-15)19-14(2)23-24(20(19)22-13)17-10-6-9-16(21)12-17/h3-12H,1-2H3
InChIKeyOUGIGOXBUZNZMG-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.36
Rot. Bonds2

About 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine

1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine (PubChem CID 17309001) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
PubChem CID17309001
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(C)nn(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C20H16ClN3/c1-13-11-18(15-7-4-3-5-8-15)19-14(2)23-24(20(19)22-13)17-10-6-9-16(21)12-17/h3-12H,1-2H3
InChIKeyOUGIGOXBUZNZMG-UHFFFAOYSA-N
XLogP5.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 134120564
4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
CID 18778092
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
4-chloro-1-(3-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carbonyl chloride
CID 11163623
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine (CID 17309001) is 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine is Cc1cc(-c2ccccc2)c2c(C)nn(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine?
The InChIKey is OUGIGOXBUZNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c1-13-11-18(15-7-4-3-5-8-15)19-14(2)23-24(20(19)22-13)17-10-6-9-16(21)12-17/h3-12H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine?
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine has a molecular weight of 333.82 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 17309001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).