4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine

C16H16ClN3 — CID 2095788

IUPAC4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ccc(Cl)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H16ClN3/c1-10(2)20-16-15(9-18-20)14(8-11(3)19-16)12-4-6-13(17)7-5-12/h4-10H,1-3H3
InChIKeyUBKZBRHVUBHSAZ-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.64
Rot. Bonds2

About 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine

4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine (PubChem CID 2095788) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine
PubChem CID2095788
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2ccc(Cl)cc2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C16H16ClN3/c1-10(2)20-16-15(9-18-20)14(8-11(3)19-16)12-4-6-13(17)7-5-12/h4-10H,1-3H3
InChIKeyUBKZBRHVUBHSAZ-UHFFFAOYSA-N
XLogP4.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine (CID 2095788) is 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine is Cc1cc(-c2ccc(Cl)cc2)c2cnn(C(C)C)c2n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine?
The InChIKey is UBKZBRHVUBHSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10(2)20-16-15(9-18-20)14(8-11(3)19-16)12-4-6-13(17)7-5-12/h4-10H,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine?
4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine has a molecular weight of 285.78 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 2095788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).