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

C19H22N4O — CID 68697914

IUPAC5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2cnc3occc3c2NCCN2CCNCC2)cc1
InChIInChI=1S/C19H22N4O/c1-2-4-15(5-3-1)17-14-22-19-16(6-13-24-19)18(17)21-9-12-23-10-7-20-8-11-23/h1-6,13-14,20H,7-12H2,(H,21,22)
InChIKeyOWVVNSOFXZZEEN-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.81
Rot. Bonds5

About 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 68697914) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID68697914
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2cnc3occc3c2NCCN2CCNCC2)cc1
InChIInChI=1S/C19H22N4O/c1-2-4-15(5-3-1)17-14-22-19-16(6-13-24-19)18(17)21-9-12-23-10-7-20-8-11-23/h1-6,13-14,20H,7-12H2,(H,21,22)
InChIKeyOWVVNSOFXZZEEN-UHFFFAOYSA-N
XLogP2.81
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (CID 68697914) is 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is c1ccc(-c2cnc3occc3c2NCCN2CCNCC2)cc1.
What is the InChIKey of 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is OWVVNSOFXZZEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-4-15(5-3-1)17-14-22-19-16(6-13-24-19)18(17)21-9-12-23-10-7-20-8-11-23/h1-6,13-14,20H,7-12H2,(H,21,22).
What are the key properties of 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 68697914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).