[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid

C12H16BN3O3 — CID 90356558

IUPAC[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid
SMILESCN1CCN(c2nccc3oc(B(O)O)cc23)CC1
InChIInChI=1S/C12H16BN3O3/c1-15-4-6-16(7-5-15)12-9-8-11(13(17)18)19-10(9)2-3-14-12/h2-3,8,17-18H,4-7H2,1H3
InChIKeyOVCQJTDQVGFNBS-UHFFFAOYSA-N
MW261.09 g/mol
LogP-0.74
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid

[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid (PubChem CID 90356558) has the molecular formula C12H16BN3O3 and a molecular weight of 261.09 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid
PubChem CID90356558
Molecular FormulaC12H16BN3O3
Molecular Weight261.09 g/mol
Exact Mass261.13
IUPAC Name[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid
SMILESCN1CCN(c2nccc3oc(B(O)O)cc23)CC1
InChIInChI=1S/C12H16BN3O3/c1-15-4-6-16(7-5-15)12-9-8-11(13(17)18)19-10(9)2-3-14-12/h2-3,8,17-18H,4-7H2,1H3
InChIKeyOVCQJTDQVGFNBS-UHFFFAOYSA-N
XLogP-0.74
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(Piperazin-1-yl)furo[3,2-c]pyridine
CID 2794808
3,5-Morpholinedione, 4-(4-(4-furo(3,2-c)pyridin-4-yl-1-piperazinyl)butyl)-
CID 184633
(3R)-N-furo[3,2-c]pyridin-4-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 58088026
(2,5-Dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245848
1-[4-(4-Furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-4,4-dimethylpiperidine-2,6-dione;hydrochloride
CID 45259311
1-(4-Fluorophenyl)-4-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butan-1-ol;hydrochloride
CID 45259315
3-[4-(4-Furo[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 45259320
4-(Piperazin-1-yl)furo[3,2-c]pyridine hydrochloride
CID 45259328
4,4-Dimethyl-1-[4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]piperidine-2,6-dione;hydrochloride
CID 45259329
3-[4-[4-(2-Methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 45263925
1-(4-Fluorophenyl)-4-[4-(2-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]butan-1-ol;hydrochloride
CID 45263983
6-[6-(Furo[3,2-c]pyridin-4-ylamino)-3-pyridinyl]-1,5-dimethylpyrimidine-2,4-dione
CID 155549423

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid?
The IUPAC name of [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid (CID 90356558) is [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid is CN1CCN(c2nccc3oc(B(O)O)cc23)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid?
The InChIKey is OVCQJTDQVGFNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BN3O3/c1-15-4-6-16(7-5-15)12-9-8-11(13(17)18)19-10(9)2-3-14-12/h2-3,8,17-18H,4-7H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid?
[4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid has a molecular weight of 261.09 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)furo[3,2-c]pyridin-2-yl]boronic acid is sourced from PubChem (CID 90356558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).