1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine

C21H25N5 — CID 138467131

IUPAC1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine
SMILESCC(C)(C)n1ncc2ccc(CC(C)(C)n3cc4ccccc4n3)nc21
InChIInChI=1S/C21H25N5/c1-20(2,3)26-19-15(13-22-26)10-11-17(23-19)12-21(4,5)25-14-16-8-6-7-9-18(16)24-25/h6-11,13-14H,12H2,1-5H3
InChIKeyNGPIUJNUKZFFAH-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.51
Rot. Bonds3

About 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine

1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine (PubChem CID 138467131) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine
PubChem CID138467131
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine
SMILESCC(C)(C)n1ncc2ccc(CC(C)(C)n3cc4ccccc4n3)nc21
InChIInChI=1S/C21H25N5/c1-20(2,3)26-19-15(13-22-26)10-11-17(23-19)12-21(4,5)25-14-16-8-6-7-9-18(16)24-25/h6-11,13-14H,12H2,1-5H3
InChIKeyNGPIUJNUKZFFAH-UHFFFAOYSA-N
XLogP4.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine (CID 138467131) is 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine is CC(C)(C)n1ncc2ccc(CC(C)(C)n3cc4ccccc4n3)nc21.
What is the InChIKey of 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine?
The InChIKey is NGPIUJNUKZFFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-20(2,3)26-19-15(13-22-26)10-11-17(23-19)12-21(4,5)25-14-16-8-6-7-9-18(16)24-25/h6-11,13-14H,12H2,1-5H3.
What are the key properties of 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine?
1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine has a molecular weight of 347.47 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(2-indazol-2-yl-2-methylpropyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 138467131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).