6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine

C11H14ClN3 — CID 119053925

IUPAC6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(Cl)cc(C(C)(C)C)nc21
InChIInChI=1S/C11H14ClN3/c1-11(2,3)9-5-8(12)7-6-13-15(4)10(7)14-9/h5-6H,1-4H3
InChIKeyHJKKNAXCOXMITK-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.92
Rot. Bonds

About 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine

6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine (PubChem CID 119053925) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine
PubChem CID119053925
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine
SMILESCn1ncc2c(Cl)cc(C(C)(C)C)nc21
InChIInChI=1S/C11H14ClN3/c1-11(2,3)9-5-8(12)7-6-13-15(4)10(7)14-9/h5-6H,1-4H3
InChIKeyHJKKNAXCOXMITK-UHFFFAOYSA-N
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
CID 58083235
4-chloro-1-methyl-6-propylpyrazolo[3,4-b]pyridine
CID 119053928
(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 134799704
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 44822581
4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine
CID 175745672
4-chloro-6-[(3R)-3-methoxypiperidin-1-yl]-1-methylpyrazolo[5,4-b]pyridine
CID 166284211
6-tert-butyl-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134788948
6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 29091132
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
6-chloro-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 89181683
2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine
CID 84698185
(3R,5R)-1-(4-chloro-1-methylpyrazolo[5,4-b]pyridin-6-yl)-5-methoxypiperidin-3-ol
CID 166291956

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine (CID 119053925) is 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine is Cn1ncc2c(Cl)cc(C(C)(C)C)nc21.
What is the InChIKey of 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine?
The InChIKey is HJKKNAXCOXMITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-11(2,3)9-5-8(12)7-6-13-15(4)10(7)14-9/h5-6H,1-4H3.
What are the key properties of 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine?
6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine has a molecular weight of 223.71 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 119053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).