3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine

C13H16ClN3O — CID 143866443

IUPAC3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
SMILESCc1ccc2c(CCl)nn(C3CCCCO3)c2n1
InChIInChI=1S/C13H16ClN3O/c1-9-5-6-10-11(8-14)16-17(13(10)15-9)12-4-2-3-7-18-12/h5-6,12H,2-4,7-8H2,1H3
InChIKeyOPYDXRKFIAPDMK-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.18
Rot. Bonds2

About 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine

3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine (PubChem CID 143866443) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
PubChem CID143866443
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
SMILESCc1ccc2c(CCl)nn(C3CCCCO3)c2n1
InChIInChI=1S/C13H16ClN3O/c1-9-5-6-10-11(8-14)16-17(13(10)15-9)12-4-2-3-7-18-12/h5-6,12H,2-4,7-8H2,1H3
InChIKeyOPYDXRKFIAPDMK-UHFFFAOYSA-N
XLogP3.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 86722868
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
CID 118988228
3-ethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol
CID 171465891
3-iodo-5-methyl-1-[(2R)-oxan-2-yl]pyrazolo[3,4-b]pyrazine
CID 125418917
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
ethyl 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 86678158
4-methyl-1-(oxan-2-yl)-3-prop-2-enylindazole
CID 176885586
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine (CID 143866443) is 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine is Cc1ccc2c(CCl)nn(C3CCCCO3)c2n1.
What is the InChIKey of 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is OPYDXRKFIAPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-5-6-10-11(8-14)16-17(13(10)15-9)12-4-2-3-7-18-12/h5-6,12H,2-4,7-8H2,1H3.
What are the key properties of 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine?
3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 265.74 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 143866443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).