2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

C33H43N5O2 — CID 11663885

IUPAC2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESCC(C)N(CCOc1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C33H43N5O2/c1-24(2)38(25(3)4)22-23-39-28-12-10-27(11-13-28)32-30(26-8-6-5-7-9-26)31-29(14-15-36-33(31)40-32)35-18-21-37-19-16-34-17-20-37/h5-15,24-25,34H,16-23H2,1-4H3,(H,35,36)
InChIKeyKNNAWFQMISAWMQ-UHFFFAOYSA-N
MW541.74 g/mol
LogP5.98
Rot. Bonds12

About 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 11663885) has the molecular formula C33H43N5O2 and a molecular weight of 541.74 g/mol. Its IUPAC name is 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID11663885
Molecular FormulaC33H43N5O2
Molecular Weight541.74 g/mol
Exact Mass541.34
IUPAC Name2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESCC(C)N(CCOc1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C33H43N5O2/c1-24(2)38(25(3)4)22-23-39-28-12-10-27(11-13-28)32-30(26-8-6-5-7-9-26)31-29(14-15-36-33(31)40-32)35-18-21-37-19-16-34-17-20-37/h5-15,24-25,34H,16-23H2,1-4H3,(H,35,36)
InChIKeyKNNAWFQMISAWMQ-UHFFFAOYSA-N
XLogP5.98
TPSA65.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (CID 11663885) is 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is CC(C)N(CCOc1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1)C(C)C.
What is the InChIKey of 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is KNNAWFQMISAWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O2/c1-24(2)38(25(3)4)22-23-39-28-12-10-27(11-13-28)32-30(26-8-6-5-7-9-26)31-29(14-15-36-33(31)40-32)35-18-21-37-19-16-34-17-20-37/h5-15,24-25,34H,16-23H2,1-4H3,(H,35,36).
What are the key properties of 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 541.74 g/mol, XLogP of 5.98, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11663885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).