7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine

C20H18FN5O — CID 176913883

IUPAC7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESFc1ccc2c(c1)oc1cnc(Nc3ccc(N4CCNCC4)cn3)cc12
InChIInChI=1S/C20H18FN5O/c21-13-1-3-15-16-10-20(24-12-18(16)27-17(15)9-13)25-19-4-2-14(11-23-19)26-7-5-22-6-8-26/h1-4,9-12,22H,5-8H2,(H,23,24,25)
InChIKeyRKONKAAIBNGBIK-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.67
Rot. Bonds3

About 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine

7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine (PubChem CID 176913883) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound Name7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine
PubChem CID176913883
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine
SMILESFc1ccc2c(c1)oc1cnc(Nc3ccc(N4CCNCC4)cn3)cc12
InChIInChI=1S/C20H18FN5O/c21-13-1-3-15-16-10-20(24-12-18(16)27-17(15)9-13)25-19-4-2-14(11-23-19)26-7-5-22-6-8-26/h1-4,9-12,22H,5-8H2,(H,23,24,25)
InChIKeyRKONKAAIBNGBIK-UHFFFAOYSA-N
XLogP3.67
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine 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 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine?
The IUPAC name of 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine (CID 176913883) is 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine?
The canonical SMILES for 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine is Fc1ccc2c(c1)oc1cnc(Nc3ccc(N4CCNCC4)cn3)cc12.
What is the InChIKey of 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine?
The InChIKey is RKONKAAIBNGBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-13-1-3-15-16-10-20(24-12-18(16)27-17(15)9-13)25-19-4-2-14(11-23-19)26-7-5-22-6-8-26/h1-4,9-12,22H,5-8H2,(H,23,24,25).
What are the key properties of 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine?
7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine has a molecular weight of 363.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 176913883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).