5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine

C20H16ClN3 — CID 1480891

IUPAC5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
SMILESCc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(C)c1Cl
InChIInChI=1S/C20H16ClN3/c1-13-17-19(15-9-5-3-6-10-15)23-24(16-11-7-4-8-12-16)20(17)22-14(2)18(13)21/h3-12H,1-2H3
InChIKeyTULXGIPZZTZQTR-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.36
Rot. Bonds2

About 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine

5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine (PubChem CID 1480891) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
PubChem CID1480891
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
SMILESCc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(C)c1Cl
InChIInChI=1S/C20H16ClN3/c1-13-17-19(15-9-5-3-6-10-15)23-24(16-11-7-4-8-12-16)20(17)22-14(2)18(13)21/h3-12H,1-2H3
InChIKeyTULXGIPZZTZQTR-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine (CID 1480891) is 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine is Cc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine?
The InChIKey is TULXGIPZZTZQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c1-13-17-19(15-9-5-3-6-10-15)23-24(16-11-7-4-8-12-16)20(17)22-14(2)18(13)21/h3-12H,1-2H3.
What are the key properties of 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine?
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[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 5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 1480891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).