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

C31H37N5O3 — CID 11635079

IUPAC2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C31H37N5O3/c1-2-4-24(5-3-1)28-29-27(33-14-17-35-15-12-32-13-16-35)10-11-34-31(29)39-30(28)25-6-8-26(9-7-25)38-23-20-36-18-21-37-22-19-36/h1-11,32H,12-23H2,(H,33,34)
InChIKeyWLKGPIPZNVLVAM-UHFFFAOYSA-N
MW527.67 g/mol
LogP4.19
Rot. Bonds10

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

2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 11635079) has the molecular formula C31H37N5O3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID11635079
Molecular FormulaC31H37N5O3
Molecular Weight527.67 g/mol
Exact Mass527.29
IUPAC Name2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C31H37N5O3/c1-2-4-24(5-3-1)28-29-27(33-14-17-35-15-12-32-13-16-35)10-11-34-31(29)39-30(28)25-6-8-26(9-7-25)38-23-20-36-18-21-37-22-19-36/h1-11,32H,12-23H2,(H,33,34)
InChIKeyWLKGPIPZNVLVAM-UHFFFAOYSA-N
XLogP4.19
TPSA75.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (CID 11635079) is 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is c1ccc(-c2c(-c3ccc(OCCN4CCOCC4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1.
What is the InChIKey of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is WLKGPIPZNVLVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3/c1-2-4-24(5-3-1)28-29-27(33-14-17-35-15-12-32-13-16-35)10-11-34-31(29)39-30(28)25-6-8-26(9-7-25)38-23-20-36-18-21-37-22-19-36/h1-11,32H,12-23H2,(H,33,34).
What are the key properties of 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 527.67 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11635079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).