5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one

C8H8ClN3O — CID 136951291

IUPAC5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2[nH]cc(Cl)c(=O)c12
InChIInChI=1S/C8H8ClN3O/c1-4-6-7(13)5(9)3-10-8(6)12(2)11-4/h3H,1-2H3,(H,10,13)
InChIKeyMGXCVOSOUOFYIS-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.22
Rot. Bonds

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

5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 136951291) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID136951291
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(C)c2[nH]cc(Cl)c(=O)c12
InChIInChI=1S/C8H8ClN3O/c1-4-6-7(13)5(9)3-10-8(6)12(2)11-4/h3H,1-2H3,(H,10,13)
InChIKeyMGXCVOSOUOFYIS-UHFFFAOYSA-N
XLogP1.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135424139
1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135772535
6-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 137218174
1-(5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)ethanone
CID 11116254
5-amino-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136303222
1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136314440
1-[1,3-Dimethyl-5-(methylamino)pyrazol-4-yl]ethanone
CID 20703770
1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135590724
3,6-dimethyl-1-ethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135735328
1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135853015
5-Chloro-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 135968105
1,3,5,6-tetramethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136153850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 136951291) is 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(C)c2[nH]cc(Cl)c(=O)c12.
What is the InChIKey of 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is MGXCVOSOUOFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-4-6-7(13)5(9)3-10-8(6)12(2)11-4/h3H,1-2H3,(H,10,13).
What are the key properties of 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 197.62 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 136951291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).