8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C16H17N3O2 — CID 121389360

IUPAC8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCn1ncc2c1C=C(c1cncc3c1COCC3O)CC2
InChIInChI=1S/C16H17N3O2/c1-19-15-4-10(2-3-11(15)5-18-19)12-6-17-7-13-14(12)8-21-9-16(13)20/h4-7,16,20H,2-3,8-9H2,1H3
InChIKeyPVDWAAJKGDKQAB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.87
Rot. Bonds1

About 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389360) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389360
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCn1ncc2c1C=C(c1cncc3c1COCC3O)CC2
InChIInChI=1S/C16H17N3O2/c1-19-15-4-10(2-3-11(15)5-18-19)12-6-17-7-13-14(12)8-21-9-16(13)20/h4-7,16,20H,2-3,8-9H2,1H3
InChIKeyPVDWAAJKGDKQAB-UHFFFAOYSA-N
XLogP1.87
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389360) is 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is Cn1ncc2c1C=C(c1cncc3c1COCC3O)CC2.
What is the InChIKey of 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is PVDWAAJKGDKQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-15-4-10(2-3-11(15)5-18-19)12-6-17-7-13-14(12)8-21-9-16(13)20/h4-7,16,20H,2-3,8-9H2,1H3.
What are the key properties of 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 283.33 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methyl-4,5-dihydroindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).