2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile

C29H26N4O4 — CID 71677846

IUPAC2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CCNCC5)cc4)oc23)ccc1OC1CCOC1
InChIInChI=1S/C29H26N4O4/c30-17-22-15-21(5-6-26(22)36-23-8-14-35-18-23)24-7-9-32-25-16-27(37-28(24)25)19-1-3-20(4-2-19)29(34)33-12-10-31-11-13-33/h1-7,9,15-16,23,31H,8,10-14,18H2
InChIKeyRIEPAVZSMVPXCI-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.25
Rot. Bonds5

About 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile

2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile (PubChem CID 71677846) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile
PubChem CID71677846
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CCNCC5)cc4)oc23)ccc1OC1CCOC1
InChIInChI=1S/C29H26N4O4/c30-17-22-15-21(5-6-26(22)36-23-8-14-35-18-23)24-7-9-32-25-16-27(37-28(24)25)19-1-3-20(4-2-19)29(34)33-12-10-31-11-13-33/h1-7,9,15-16,23,31H,8,10-14,18H2
InChIKeyRIEPAVZSMVPXCI-UHFFFAOYSA-N
XLogP4.25
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile?
The IUPAC name of 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile (CID 71677846) is 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile.
What is the SMILES notation for 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile?
The canonical SMILES for 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile is N#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CCNCC5)cc4)oc23)ccc1OC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile?
The InChIKey is RIEPAVZSMVPXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c30-17-22-15-21(5-6-26(22)36-23-8-14-35-18-23)24-7-9-32-25-16-27(37-28(24)25)19-1-3-20(4-2-19)29(34)33-12-10-31-11-13-33/h1-7,9,15-16,23,31H,8,10-14,18H2.
What are the key properties of 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile?
2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile has a molecular weight of 494.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile is sourced from PubChem (CID 71677846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).