7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine

C24H21Cl2F2N5O2 — CID 87386039

IUPAC7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine
SMILESNc1ncc2c(-c3ccc(N4CCNCC4)nc3)coc2c1OCCc1c(Cl)c(F)cc(F)c1Cl
InChIInChI=1S/C24H21Cl2F2N5O2/c25-20-14(21(26)18(28)9-17(20)27)3-8-34-23-22-15(11-32-24(23)29)16(12-35-22)13-1-2-19(31-10-13)33-6-4-30-5-7-33/h1-2,9-12,30H,3-8H2,(H2,29,32)
InChIKeyXRKUFGYPAAWZIQ-UHFFFAOYSA-N
MW520.37 g/mol
LogP5.09
Rot. Bonds6

About 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine

7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine (PubChem CID 87386039) has the molecular formula C24H21Cl2F2N5O2 and a molecular weight of 520.37 g/mol. Its IUPAC name is 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine
PubChem CID87386039
Molecular FormulaC24H21Cl2F2N5O2
Molecular Weight520.37 g/mol
Exact Mass519.10
IUPAC Name7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine
SMILESNc1ncc2c(-c3ccc(N4CCNCC4)nc3)coc2c1OCCc1c(Cl)c(F)cc(F)c1Cl
InChIInChI=1S/C24H21Cl2F2N5O2/c25-20-14(21(26)18(28)9-17(20)27)3-8-34-23-22-15(11-32-24(23)29)16(12-35-22)13-1-2-19(31-10-13)33-6-4-30-5-7-33/h1-2,9-12,30H,3-8H2,(H2,29,32)
InChIKeyXRKUFGYPAAWZIQ-UHFFFAOYSA-N
XLogP5.09
TPSA89.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.37
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-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-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine?
The IUPAC name of 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine (CID 87386039) is 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine?
The canonical SMILES for 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine is Nc1ncc2c(-c3ccc(N4CCNCC4)nc3)coc2c1OCCc1c(Cl)c(F)cc(F)c1Cl.
What is the InChIKey of 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine?
The InChIKey is XRKUFGYPAAWZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F2N5O2/c25-20-14(21(26)18(28)9-17(20)27)3-8-34-23-22-15(11-32-24(23)29)16(12-35-22)13-1-2-19(31-10-13)33-6-4-30-5-7-33/h1-2,9-12,30H,3-8H2,(H2,29,32).
What are the key properties of 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine?
7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine has a molecular weight of 520.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 87386039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).