3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile

C30H33N5O — CID 118190933

IUPAC3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile
SMILESCc1ccn(-c2ccc(N3CCN(CCCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1
InChIInChI=1S/C30H33N5O/c1-23-12-14-35(30(36)19-23)27-9-7-26(8-10-27)34-17-15-33(16-18-34)13-4-2-3-5-25-22-32-29-11-6-24(21-31)20-28(25)29/h6-12,14,19-20,22,32H,2-5,13,15-18H2,1H3
InChIKeyJIQDQLNNYZEFOF-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.03
Rot. Bonds8

About 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile

3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile (PubChem CID 118190933) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile
PubChem CID118190933
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile
SMILESCc1ccn(-c2ccc(N3CCN(CCCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1
InChIInChI=1S/C30H33N5O/c1-23-12-14-35(30(36)19-23)27-9-7-26(8-10-27)34-17-15-33(16-18-34)13-4-2-3-5-25-22-32-29-11-6-24(21-31)20-28(25)29/h6-12,14,19-20,22,32H,2-5,13,15-18H2,1H3
InChIKeyJIQDQLNNYZEFOF-UHFFFAOYSA-N
XLogP5.03
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-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-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile (CID 118190933) is 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile is Cc1ccn(-c2ccc(N3CCN(CCCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)c(=O)c1.
What is the InChIKey of 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile?
The InChIKey is JIQDQLNNYZEFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-23-12-14-35(30(36)19-23)27-9-7-26(8-10-27)34-17-15-33(16-18-34)13-4-2-3-5-25-22-32-29-11-6-24(21-31)20-28(25)29/h6-12,14,19-20,22,32H,2-5,13,15-18H2,1H3.
What are the key properties of 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile?
3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile has a molecular weight of 479.63 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[4-(4-methyl-2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]pentyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 118190933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).