1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C12H17N3O — CID 135418903

IUPAC1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C12H17N3O/c1-7-6-9(16)13-11-10(7)8(2)14-15(11)12(3,4)5/h6H,1-5H3,(H,13,16)
InChIKeyBORLYRGBWLESFG-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.10
Rot. Bonds

About 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135418903) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135418903
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C(C)(C)C
InChIInChI=1S/C12H17N3O/c1-7-6-9(16)13-11-10(7)8(2)14-15(11)12(3,4)5/h6H,1-5H3,(H,13,16)
InChIKeyBORLYRGBWLESFG-UHFFFAOYSA-N
XLogP2.10
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-trimethyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135447117
5-Tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875699
3-[3-methyl-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-1-yl]propanenitrile
CID 135495515
5-Tert-butyl-3-methyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875695
1-cyclopentyl-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135413839
N-tert-butyl-2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16026409
3,4-dimethyl-1-pentyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135406013
N-(3-methylbutyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026215
1-Cyclohexyl-3,4-dimethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135473418
1,3-dimethyl-4-(pentafluoroethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135645637
3,4-Dimethyl-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135538831
N,N-diethyl-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026223

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135418903) is 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1c(C)nn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BORLYRGBWLESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7-6-9(16)13-11-10(7)8(2)14-15(11)12(3,4)5/h6H,1-5H3,(H,13,16).
What are the key properties of 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 219.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135418903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).