1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone

C10H10ClN3O — CID 70807283

IUPAC1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2c(c(C)nn2C)c1Cl
InChIInChI=1S/C10H10ClN3O/c1-5-8-9(11)7(6(2)15)4-12-10(8)14(3)13-5/h4H,1-3H3
InChIKeyNNKQZTRXPWLXMC-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.13
Rot. Bonds1

About 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone

1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone (PubChem CID 70807283) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
PubChem CID70807283
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone
SMILESCC(=O)c1cnc2c(c(C)nn2C)c1Cl
InChIInChI=1S/C10H10ClN3O/c1-5-8-9(11)7(6(2)15)4-12-10(8)14(3)13-5/h4H,1-3H3
InChIKeyNNKQZTRXPWLXMC-UHFFFAOYSA-N
XLogP2.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 145130868
4-chloro-N-[(4-ethylphenyl)carbamoyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 142159249
N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 2780603
N-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 58248810
2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
CID 83892061
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457407
(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093151
(5-acetyl-3,4-dichloropyrrolo[2,3-b]pyridin-1-yl) thiohypofluorite
CID 144531729
1,3-dimethyl-4-prop-2-ynoxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 112580943
4-(2,2-dimethylpropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937569
4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 146779326
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone (CID 70807283) is 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone is CC(=O)c1cnc2c(c(C)nn2C)c1Cl.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
The InChIKey is NNKQZTRXPWLXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-5-8-9(11)7(6(2)15)4-12-10(8)14(3)13-5/h4H,1-3H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone?
1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone has a molecular weight of 223.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 70807283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).