4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole

C13H15N3O — CID 168941477

IUPAC4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
SMILESCOc1cccc2[nH]nc(C3=CCCNC3)c12
InChIInChI=1S/C13H15N3O/c1-17-11-6-2-5-10-12(11)13(16-15-10)9-4-3-7-14-8-9/h2,4-6,14H,3,7-8H2,1H3,(H,15,16)
InChIKeyOWAUQTRUMWLABY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.95
Rot. Bonds2

About 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole

4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole (PubChem CID 168941477) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole.

Molecular Properties

Compound Name4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
PubChem CID168941477
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
SMILESCOc1cccc2[nH]nc(C3=CCCNC3)c12
InChIInChI=1S/C13H15N3O/c1-17-11-6-2-5-10-12(11)13(16-15-10)9-4-3-7-14-8-9/h2,4-6,14H,3,7-8H2,1H3,(H,15,16)
InChIKeyOWAUQTRUMWLABY-UHFFFAOYSA-N
XLogP1.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The IUPAC name of 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole (CID 168941477) is 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole.
What is the SMILES notation for 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The canonical SMILES for 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole is COc1cccc2[nH]nc(C3=CCCNC3)c12.
What is the InChIKey of 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The InChIKey is OWAUQTRUMWLABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-11-6-2-5-10-12(11)13(16-15-10)9-4-3-7-14-8-9/h2,4-6,14H,3,7-8H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole has a molecular weight of 229.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole is sourced from PubChem (CID 168941477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).