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

C30H32N6O2 — CID 11613133

IUPAC2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCn4ccnc4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C30H32N6O2/c1-2-4-23(5-3-1)27-28-26(33-15-19-35-16-12-31-13-17-35)10-11-34-30(28)38-29(27)24-6-8-25(9-7-24)37-21-20-36-18-14-32-22-36/h1-11,14,18,22,31H,12-13,15-17,19-21H2,(H,33,34)
InChIKeyWYNDNQIGGGWABE-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.75
Rot. Bonds10

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

2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 11613133) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID11613133
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCn4ccnc4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C30H32N6O2/c1-2-4-23(5-3-1)27-28-26(33-15-19-35-16-12-31-13-17-35)10-11-34-30(28)38-29(27)24-6-8-25(9-7-24)37-21-20-36-18-14-32-22-36/h1-11,14,18,22,31H,12-13,15-17,19-21H2,(H,33,34)
InChIKeyWYNDNQIGGGWABE-UHFFFAOYSA-N
XLogP4.75
TPSA80.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (CID 11613133) is 2-[4-(2-imidazol-1-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-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is c1ccc(-c2c(-c3ccc(OCCn4ccnc4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1.
What is the InChIKey of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is WYNDNQIGGGWABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-2-4-23(5-3-1)27-28-26(33-15-19-35-16-12-31-13-17-35)10-11-34-30(28)38-29(27)24-6-8-25(9-7-24)37-21-20-36-18-14-32-22-36/h1-11,14,18,22,31H,12-13,15-17,19-21H2,(H,33,34).
What are the key properties of 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 508.63 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-ylethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11613133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).