[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid

C18H16FN3O5 — CID 70843718

IUPAC[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid
SMILESCOCCCN(C(=O)O)c1c(C(=O)c2ccc(F)nc2)oc2ncccc12
InChIInChI=1S/C18H16FN3O5/c1-26-9-3-8-22(18(24)25)14-12-4-2-7-20-17(12)27-16(14)15(23)11-5-6-13(19)21-10-11/h2,4-7,10H,3,8-9H2,1H3,(H,24,25)
InChIKeyYQZAGOGVGNNDJY-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.11
Rot. Bonds7

About [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid

[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid (PubChem CID 70843718) has the molecular formula C18H16FN3O5 and a molecular weight of 373.34 g/mol. Its IUPAC name is [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid.

Molecular Properties

Compound Name[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid
PubChem CID70843718
Molecular FormulaC18H16FN3O5
Molecular Weight373.34 g/mol
Exact Mass373.11
IUPAC Name[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid
SMILESCOCCCN(C(=O)O)c1c(C(=O)c2ccc(F)nc2)oc2ncccc12
InChIInChI=1S/C18H16FN3O5/c1-26-9-3-8-22(18(24)25)14-12-4-2-7-20-17(12)27-16(14)15(23)11-5-6-13(19)21-10-11/h2,4-7,10H,3,8-9H2,1H3,(H,24,25)
InChIKeyYQZAGOGVGNNDJY-UHFFFAOYSA-N
XLogP3.11
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid?
The IUPAC name of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid (CID 70843718) is [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid.
What is the SMILES notation for [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid?
The canonical SMILES for [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid is COCCCN(C(=O)O)c1c(C(=O)c2ccc(F)nc2)oc2ncccc12.
What is the InChIKey of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid?
The InChIKey is YQZAGOGVGNNDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5/c1-26-9-3-8-22(18(24)25)14-12-4-2-7-20-17(12)27-16(14)15(23)11-5-6-13(19)21-10-11/h2,4-7,10H,3,8-9H2,1H3,(H,24,25).
What are the key properties of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid?
[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid has a molecular weight of 373.34 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]-(3-methoxypropyl)carbamic acid is sourced from PubChem (CID 70843718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).