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

C33H34N4O2 — CID 11692100

IUPAC3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4ccncc4)c23)cc1
InChIInChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36)
InChIKeyRSRIBZZUPWIEDF-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.08
Rot. Bonds10

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

3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 11692100) 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-4-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID11692100
Molecular FormulaC33H34N4O2
Molecular Weight518.66 g/mol
Exact Mass518.27
IUPAC Name3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4ccncc4)c23)cc1
InChIInChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36)
InChIKeyRSRIBZZUPWIEDF-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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine (CID 11692100) is 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-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-4-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine is c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCc4ccncc4)c23)cc1.
What is the InChIKey of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is RSRIBZZUPWIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36).
What are the key properties of 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-ylethyl)furo[2,3-b]pyridin-4-amine?
3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-pyridin-4-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-4-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11692100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).