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

C32H39N5O2 — CID 11656606

IUPAC3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C32H39N5O2/c1-3-7-25(8-4-1)29-30-28(34-17-22-37-20-15-33-16-21-37)13-14-35-32(30)39-31(29)26-9-11-27(12-10-26)38-24-23-36-18-5-2-6-19-36/h1,3-4,7-14,33H,2,5-6,15-24H2,(H,34,35)
InChIKeyZMWKUKIYVSUWAS-UHFFFAOYSA-N
MW525.70 g/mol
LogP5.34
Rot. Bonds10

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

3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine (PubChem CID 11656606) has the molecular formula C32H39N5O2 and a molecular weight of 525.70 g/mol. Its IUPAC name is 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine
PubChem CID11656606
Molecular FormulaC32H39N5O2
Molecular Weight525.70 g/mol
Exact Mass525.31
IUPAC Name3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1
InChIInChI=1S/C32H39N5O2/c1-3-7-25(8-4-1)29-30-28(34-17-22-37-20-15-33-16-21-37)13-14-35-32(30)39-31(29)26-9-11-27(12-10-26)38-24-23-36-18-5-2-6-19-36/h1,3-4,7-14,33H,2,5-6,15-24H2,(H,34,35)
InChIKeyZMWKUKIYVSUWAS-UHFFFAOYSA-N
XLogP5.34
TPSA65.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine (CID 11656606) is 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine is c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCN4CCNCC4)c23)cc1.
What is the InChIKey of 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
The InChIKey is ZMWKUKIYVSUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2/c1-3-7-25(8-4-1)29-30-28(34-17-22-37-20-15-33-16-21-37)13-14-35-32(30)39-31(29)26-9-11-27(12-10-26)38-24-23-36-18-5-2-6-19-36/h1,3-4,7-14,33H,2,5-6,15-24H2,(H,34,35).
What are the key properties of 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine has a molecular weight of 525.70 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11656606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).