3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol

C18H26N4O2 — CID 171465859

IUPAC3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol
SMILESCc1nn(C2CCCCO2)c2ncc(O)c(C3CCN(C)CC3)c12
InChIInChI=1S/C18H26N4O2/c1-12-16-17(13-6-8-21(2)9-7-13)14(23)11-19-18(16)22(20-12)15-5-3-4-10-24-15/h11,13,15,23H,3-10H2,1-2H3
InChIKeyJQGZMSKVDBDWIO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.95
Rot. Bonds2

About 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol

3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol (PubChem CID 171465859) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol
PubChem CID171465859
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol
SMILESCc1nn(C2CCCCO2)c2ncc(O)c(C3CCN(C)CC3)c12
InChIInChI=1S/C18H26N4O2/c1-12-16-17(13-6-8-21(2)9-7-13)14(23)11-19-18(16)22(20-12)15-5-3-4-10-24-15/h11,13,15,23H,3-10H2,1-2H3
InChIKeyJQGZMSKVDBDWIO-UHFFFAOYSA-N
XLogP2.95
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-iodo-5-methyl-1-[(2R)-oxan-2-yl]pyrazolo[3,4-b]pyrazine
CID 125418917
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
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-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548
4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
CID 169184718
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
4-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 121228915
4-[(4-methylpiperazin-1-yl)methyl]-1-(oxan-2-yl)pyrazole-3-carboxylic acid
CID 154998873
3,4-dimethyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 145131024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol?
The IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol (CID 171465859) is 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol is Cc1nn(C2CCCCO2)c2ncc(O)c(C3CCN(C)CC3)c12.
What is the InChIKey of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol?
The InChIKey is JQGZMSKVDBDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-16-17(13-6-8-21(2)9-7-13)14(23)11-19-18(16)22(20-12)15-5-3-4-10-24-15/h11,13,15,23H,3-10H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol?
3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol has a molecular weight of 330.43 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 171465859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).