1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone

C15H13N3O2 — CID 144997194

IUPAC1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone
SMILESCC(=O)c1n[nH]c2cc(Oc3ccc(C)nc3)ccc12
InChIInChI=1S/C15H13N3O2/c1-9-3-4-12(8-16-9)20-11-5-6-13-14(7-11)17-18-15(13)10(2)19/h3-8H,1-2H3,(H,17,18)
InChIKeyGJKUDSDNSXDPFX-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.26
Rot. Bonds3

About 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone

1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone (PubChem CID 144997194) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone
PubChem CID144997194
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone
SMILESCC(=O)c1n[nH]c2cc(Oc3ccc(C)nc3)ccc12
InChIInChI=1S/C15H13N3O2/c1-9-3-4-12(8-16-9)20-11-5-6-13-14(7-11)17-18-15(13)10(2)19/h3-8H,1-2H3,(H,17,18)
InChIKeyGJKUDSDNSXDPFX-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone?
The IUPAC name of 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone (CID 144997194) is 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone.
What is the SMILES notation for 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone?
The canonical SMILES for 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone is CC(=O)c1n[nH]c2cc(Oc3ccc(C)nc3)ccc12.
What is the InChIKey of 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone?
The InChIKey is GJKUDSDNSXDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-3-4-12(8-16-9)20-11-5-6-13-14(7-11)17-18-15(13)10(2)19/h3-8H,1-2H3,(H,17,18).
What are the key properties of 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone?
1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone has a molecular weight of 267.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(6-methyl-3-pyridinyl)oxy]-1H-indazol-3-yl]ethanone is sourced from PubChem (CID 144997194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).