3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine

C33H34N4O2 — CID 11519208

IUPAC3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c23)cc1
InChIInChI=1S/C33H34N4O2/c1-3-9-26(10-4-1)30-31-29(35-18-15-25-8-7-17-34-24-25)16-19-36-33(31)39-32(30)27-11-13-28(14-12-27)38-23-22-37-20-5-2-6-21-37/h1,3-4,7-14,16-17,19,24H,2,5-6,15,18,20-23H2,(H,35,36)
InChIKeyQKKHXTGUTLRIAS-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.08
Rot. Bonds10

About 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine

3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 11519208) has the molecular formula C33H34N4O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID11519208
Molecular FormulaC33H34N4O2
Molecular Weight518.66 g/mol
Exact Mass518.27
IUPAC Name3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c23)cc1
InChIInChI=1S/C33H34N4O2/c1-3-9-26(10-4-1)30-31-29(35-18-15-25-8-7-17-34-24-25)16-19-36-33(31)39-32(30)27-11-13-28(14-12-27)38-23-22-37-20-5-2-6-21-37/h1,3-4,7-14,16-17,19,24H,2,5-6,15,18,20-23H2,(H,35,36)
InChIKeyQKKHXTGUTLRIAS-UHFFFAOYSA-N
XLogP7.08
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-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 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine (CID 11519208) is 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine is c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4cccnc4)c23)cc1.
What is the InChIKey of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is QKKHXTGUTLRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-3-9-26(10-4-1)30-31-29(35-18-15-25-8-7-17-34-24-25)16-19-36-33(31)39-32(30)27-11-13-28(14-12-27)38-23-22-37-20-5-2-6-21-37/h1,3-4,7-14,16-17,19,24H,2,5-6,15,18,20-23H2,(H,35,36).
What are the key properties of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine?
3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 518.66 g/mol, XLogP of 7.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-3-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11519208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).