3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile

C29H27N5O2 — CID 91810403

IUPAC3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6occc6c5=O)cc4)CC3)c2c1
InChIInChI=1S/C29H27N5O2/c30-19-21-3-8-27-26(18-21)22(20-31-27)2-1-11-32-13-15-33(16-14-32)23-4-6-24(7-5-23)34-12-9-28-25(29(34)35)10-17-36-28/h3-10,12,17-18,20,31H,1-2,11,13-16H2
InChIKeyQTUKOVCDDVJCPW-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.69
Rot. Bonds6

About 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile

3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile (PubChem CID 91810403) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
PubChem CID91810403
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6occc6c5=O)cc4)CC3)c2c1
InChIInChI=1S/C29H27N5O2/c30-19-21-3-8-27-26(18-21)22(20-31-27)2-1-11-32-13-15-33(16-14-32)23-4-6-24(7-5-23)34-12-9-28-25(29(34)35)10-17-36-28/h3-10,12,17-18,20,31H,1-2,11,13-16H2
InChIKeyQTUKOVCDDVJCPW-UHFFFAOYSA-N
XLogP4.69
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile (CID 91810403) is 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6occc6c5=O)cc4)CC3)c2c1.
What is the InChIKey of 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The InChIKey is QTUKOVCDDVJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c30-19-21-3-8-27-26(18-21)22(20-31-27)2-1-11-32-13-15-33(16-14-32)23-4-6-24(7-5-23)34-12-9-28-25(29(34)35)10-17-36-28/h3-10,12,17-18,20,31H,1-2,11,13-16H2.
What are the key properties of 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile has a molecular weight of 477.57 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-(4-oxofuro[3,2-c]pyridin-5-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 91810403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).