[4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid

C15H22BN3O3 — CID 90356708

IUPAC[4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid
SMILESCN(CCCN1CCCC1)c1nccc2oc(B(O)O)cc12
InChIInChI=1S/C15H22BN3O3/c1-18(7-4-10-19-8-2-3-9-19)15-12-11-14(16(20)21)22-13(12)5-6-17-15/h5-6,11,20-21H,2-4,7-10H2,1H3
InChIKeyFRNICFROKBHBFA-UHFFFAOYSA-N
MW303.17 g/mol
LogP0.43
Rot. Bonds6

About [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid

[4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid (PubChem CID 90356708) has the molecular formula C15H22BN3O3 and a molecular weight of 303.17 g/mol. Its IUPAC name is [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid.

Molecular Properties

Compound Name[4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid
PubChem CID90356708
Molecular FormulaC15H22BN3O3
Molecular Weight303.17 g/mol
Exact Mass303.18
IUPAC Name[4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid
SMILESCN(CCCN1CCCC1)c1nccc2oc(B(O)O)cc12
InChIInChI=1S/C15H22BN3O3/c1-18(7-4-10-19-8-2-3-9-19)15-12-11-14(16(20)21)22-13(12)5-6-17-15/h5-6,11,20-21H,2-4,7-10H2,1H3
InChIKeyFRNICFROKBHBFA-UHFFFAOYSA-N
XLogP0.43
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid?
The IUPAC name of [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid (CID 90356708) is [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid.
What is the SMILES notation for [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid?
The canonical SMILES for [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid is CN(CCCN1CCCC1)c1nccc2oc(B(O)O)cc12.
What is the InChIKey of [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid?
The InChIKey is FRNICFROKBHBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BN3O3/c1-18(7-4-10-19-8-2-3-9-19)15-12-11-14(16(20)21)22-13(12)5-6-17-15/h5-6,11,20-21H,2-4,7-10H2,1H3.
What are the key properties of [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid?
[4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid has a molecular weight of 303.17 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(3-pyrrolidin-1-ylpropyl)amino]furo[3,2-c]pyridin-2-yl]boronic acid is sourced from PubChem (CID 90356708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).