2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine

C28H32N4O2 — CID 58608144

IUPAC2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
SMILESCN(C)CCOc1ccc(-c2oc3nccc(NCC4CCNC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H32N4O2/c1-32(2)16-17-33-23-10-8-22(9-11-23)27-25(21-6-4-3-5-7-21)26-24(13-15-30-28(26)34-27)31-19-20-12-14-29-18-20/h3-11,13,15,20,29H,12,14,16-19H2,1-2H3,(H,30,31)
InChIKeyUGJKDCNPLQSEIK-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.12
Rot. Bonds9

About 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine

2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 58608144) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
PubChem CID58608144
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
SMILESCN(C)CCOc1ccc(-c2oc3nccc(NCC4CCNC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H32N4O2/c1-32(2)16-17-33-23-10-8-22(9-11-23)27-25(21-6-4-3-5-7-21)26-24(13-15-30-28(26)34-27)31-19-20-12-14-29-18-20/h3-11,13,15,20,29H,12,14,16-19H2,1-2H3,(H,30,31)
InChIKeyUGJKDCNPLQSEIK-UHFFFAOYSA-N
XLogP5.12
TPSA62.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)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 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine (CID 58608144) is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine is CN(C)CCOc1ccc(-c2oc3nccc(NCC4CCNC4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is UGJKDCNPLQSEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-32(2)16-17-33-23-10-8-22(9-11-23)27-25(21-6-4-3-5-7-21)26-24(13-15-30-28(26)34-27)31-19-20-12-14-29-18-20/h3-11,13,15,20,29H,12,14,16-19H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 456.59 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 58608144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).