1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine

C17H27N3 — CID 58796824

IUPAC1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1nc2c(c(C(C)(C)C)nn2C(C)(C)C)c(C)c1C
InChIInChI=1S/C17H27N3/c1-10-11(2)13-14(16(4,5)6)19-20(17(7,8)9)15(13)18-12(10)3/h1-9H3
InChIKeyHFPDSCBLVXUQKS-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.41
Rot. Bonds

About 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine

1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 58796824) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine
PubChem CID58796824
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1nc2c(c(C(C)(C)C)nn2C(C)(C)C)c(C)c1C
InChIInChI=1S/C17H27N3/c1-10-11(2)13-14(16(4,5)6)19-20(17(7,8)9)15(13)18-12(10)3/h1-9H3
InChIKeyHFPDSCBLVXUQKS-UHFFFAOYSA-N
XLogP4.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine (CID 58796824) is 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine is Cc1nc2c(c(C(C)(C)C)nn2C(C)(C)C)c(C)c1C.
What is the InChIKey of 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is HFPDSCBLVXUQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-10-11(2)13-14(16(4,5)6)19-20(17(7,8)9)15(13)18-12(10)3/h1-9H3.
What are the key properties of 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine?
1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 273.42 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-4,5,6-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 58796824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).