4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol

C17H17N3O2 — CID 121379095

IUPAC4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol
SMILESCn1ncc2ccc(-c3cncc4c3C(C)(O)COC4)cc21
InChIInChI=1S/C17H17N3O2/c1-17(21)10-22-9-13-6-18-8-14(16(13)17)11-3-4-12-7-19-20(2)15(12)5-11/h3-8,21H,9-10H2,1-2H3
InChIKeyJPUVDEUDWFGUNZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.37
Rot. Bonds1

About 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol

4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol (PubChem CID 121379095) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol.

Molecular Properties

Compound Name4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol
PubChem CID121379095
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol
SMILESCn1ncc2ccc(-c3cncc4c3C(C)(O)COC4)cc21
InChIInChI=1S/C17H17N3O2/c1-17(21)10-22-9-13-6-18-8-14(16(13)17)11-3-4-12-7-19-20(2)15(12)5-11/h3-8,21H,9-10H2,1-2H3
InChIKeyJPUVDEUDWFGUNZ-UHFFFAOYSA-N
XLogP2.37
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol?
The IUPAC name of 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol (CID 121379095) is 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol.
What is the SMILES notation for 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol?
The canonical SMILES for 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol is Cn1ncc2ccc(-c3cncc4c3C(C)(O)COC4)cc21.
What is the InChIKey of 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol?
The InChIKey is JPUVDEUDWFGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(21)10-22-9-13-6-18-8-14(16(13)17)11-3-4-12-7-19-20(2)15(12)5-11/h3-8,21H,9-10H2,1-2H3.
What are the key properties of 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol?
4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol has a molecular weight of 295.34 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylindazol-6-yl)-1,3-dihydropyrano[3,4-c]pyridin-4-ol is sourced from PubChem (CID 121379095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).