1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine

C17H27N3 — CID 58816518

IUPAC1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine
SMILESCc1nc2c(C(C)(C)C)nn(C(C)(C)C)c2c(C)c1C
InChIInChI=1S/C17H27N3/c1-10-11(2)14-13(18-12(10)3)15(16(4,5)6)19-20(14)17(7,8)9/h1-9H3
InChIKeyNKWXYWRSHCHXSX-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.41
Rot. Bonds

About 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine

1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine (PubChem CID 58816518) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine
PubChem CID58816518
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine
SMILESCc1nc2c(C(C)(C)C)nn(C(C)(C)C)c2c(C)c1C
InChIInChI=1S/C17H27N3/c1-10-11(2)14-13(18-12(10)3)15(16(4,5)6)19-20(14)17(7,8)9/h1-9H3
InChIKeyNKWXYWRSHCHXSX-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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Related Compounds

3-Methyl-1-phenyl-1,5,6,7-tetrahydro-1,2,4-triaza-s-indacen-8-ylamine
CID 11139995
3-Tert-butyl-1-methyl-5-phenylpyrazolo[4,3-b]pyridine
CID 15946944
2,4,6,7-Tetramethyltriazolo[4,5-c]pyridine
CID 57711755
2,4-Diethyl-5,6,7-trimethylpyrazolo[1,5-a]pyridin-3-amine
CID 57806265
2-Ethyl-5,6,7-trimethylpyrazolo[1,5-a]pyridin-3-amine
CID 57806266
1-Deuterio-2,3,5,6,7-pentamethylpyrrolo[3,2-b]pyridine
CID 57823139
2,5,6,7-tetramethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 58026058
2,3,4,5,6,7-Hexamethylpyrazolo[1,5-a]pyridine
CID 58351278
2,3,4,6,7-Pentamethylpyrazolo[1,5-a]pyrazine
CID 58351284
1,3-Ditert-butyl-4,5,6-trimethylpyrrolo[3,2-c]pyrazole
CID 58796729
1,3-Ditert-butyl-4,6,7-trimethylpyrazolo[4,5-c]pyridine
CID 58816509
1,3-Ditert-butyl-4,5,7-trimethylpyrazolo[5,4-c]pyridine
CID 58816523

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine?
The IUPAC name of 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine (CID 58816518) is 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine is Cc1nc2c(C(C)(C)C)nn(C(C)(C)C)c2c(C)c1C.
What is the InChIKey of 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine?
The InChIKey is NKWXYWRSHCHXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-10-11(2)14-13(18-12(10)3)15(16(4,5)6)19-20(14)17(7,8)9/h1-9H3.
What are the key properties of 1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-b]pyridine?
1,3-ditert-butyl-5,6,7-trimethylpyrazolo[4,5-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-5,6,7-trimethylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 58816518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).