[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

C21H19N5O — CID 135300405

IUPAC[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccc4[nH]ncc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C21H19N5O/c27-21(26-8-2-1-3-9-26)15-5-7-18-19(11-15)24-20(13-22-18)14-4-6-17-16(10-14)12-23-25-17/h4-7,10-13H,1-3,8-9H2,(H,23,25)
InChIKeyWYLSQTYQLHJROB-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.80
Rot. Bonds2

About [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone

[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (PubChem CID 135300405) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
PubChem CID135300405
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ncc(-c3ccc4[nH]ncc4c3)nc2c1)N1CCCCC1
InChIInChI=1S/C21H19N5O/c27-21(26-8-2-1-3-9-26)15-5-7-18-19(11-15)24-20(13-22-18)14-4-6-17-16(10-14)12-23-25-17/h4-7,10-13H,1-3,8-9H2,(H,23,25)
InChIKeyWYLSQTYQLHJROB-UHFFFAOYSA-N
XLogP3.80
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone (CID 135300405) is [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is O=C(c1ccc2ncc(-c3ccc4[nH]ncc4c3)nc2c1)N1CCCCC1.
What is the InChIKey of [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is WYLSQTYQLHJROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(26-8-2-1-3-9-26)15-5-7-18-19(11-15)24-20(13-22-18)14-4-6-17-16(10-14)12-23-25-17/h4-7,10-13H,1-3,8-9H2,(H,23,25).
What are the key properties of [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone?
[3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 357.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indazol-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).