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

C13H17BN2O4 — CID 123357678

IUPAC[4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid
SMILESCOCC1CCCN1c1nccc2oc(B(O)O)cc12
InChIInChI=1S/C13H17BN2O4/c1-19-8-9-3-2-6-16(9)13-10-7-12(14(17)18)20-11(10)4-5-15-13/h4-5,7,9,17-18H,2-3,6,8H2,1H3
InChIKeySSZCDRUEMFUCGP-UHFFFAOYSA-N
MW276.10 g/mol
LogP0.12
Rot. Bonds4

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

[4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid (PubChem CID 123357678) has the molecular formula C13H17BN2O4 and a molecular weight of 276.10 g/mol. Its IUPAC name is [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid.

Molecular Properties

Compound Name[4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid
PubChem CID123357678
Molecular FormulaC13H17BN2O4
Molecular Weight276.10 g/mol
Exact Mass276.13
IUPAC Name[4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid
SMILESCOCC1CCCN1c1nccc2oc(B(O)O)cc12
InChIInChI=1S/C13H17BN2O4/c1-19-8-9-3-2-6-16(9)13-10-7-12(14(17)18)20-11(10)4-5-15-13/h4-5,7,9,17-18H,2-3,6,8H2,1H3
InChIKeySSZCDRUEMFUCGP-UHFFFAOYSA-N
XLogP0.12
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
CID 123836897
2-chloro-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrazine
CID 129499527
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
[1-(5-methoxyisoquinolin-1-yl)pyrrolidin-2-yl]methanamine
CID 106540997
4-[2-(methoxymethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 146092252
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 106535594
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
6-hydroxy-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
CID 145094661
(2R)-1-[3-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
CID 78323250
6-[2-(chloromethyl)pyrrolidin-1-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542592

Frequently Asked Questions

What is the IUPAC name of [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid?
The IUPAC name of [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid (CID 123357678) is [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid.
What is the SMILES notation for [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid?
The canonical SMILES for [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid is COCC1CCCN1c1nccc2oc(B(O)O)cc12.
What is the InChIKey of [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid?
The InChIKey is SSZCDRUEMFUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BN2O4/c1-19-8-9-3-2-6-16(9)13-10-7-12(14(17)18)20-11(10)4-5-15-13/h4-5,7,9,17-18H,2-3,6,8H2,1H3.
What are the key properties of [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid?
[4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid has a molecular weight of 276.10 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(methoxymethyl)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]boronic acid is sourced from PubChem (CID 123357678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).