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

C27H27N5O — CID 118190850

IUPAC3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1
InChIInChI=1S/C27H27N5O/c28-19-21-6-11-26-25(18-21)22(20-29-26)4-3-12-30-14-16-31(17-15-30)23-7-9-24(10-8-23)32-13-2-1-5-27(32)33/h1-2,5-11,13,18,20,29H,3-4,12,14-17H2
InChIKeyGNEYFGFMJGANFQ-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.95
Rot. Bonds6

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

3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile (PubChem CID 118190850) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
PubChem CID118190850
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1
InChIInChI=1S/C27H27N5O/c28-19-21-6-11-26-25(18-21)22(20-29-26)4-3-12-30-14-16-31(17-15-30)23-7-9-24(10-8-23)32-13-2-1-5-27(32)33/h1-2,5-11,13,18,20,29H,3-4,12,14-17H2
InChIKeyGNEYFGFMJGANFQ-UHFFFAOYSA-N
XLogP3.95
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Indoramin
CID 33625
Pruvanserin
CID 6433122
Indoramin hydrochloride
CID 38102
Lly-507
CID 91623361
Cinnamoyl tryptamine
CID 823206
3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118190855
3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191039
Chondriamide A
CID 6917436
Chondriamide C
CID 10336561
N-(cyanomethyl)-2-[3-(1H-indol-5-yl)phenyl]-4-methylpentanamide
CID 10154619
5-Vinyl-3-pyridinecarbonitrile, 38
CID 44251775
5-Vinyl-3-pyridinecarbonitrile, 28
CID 44473017

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile (CID 118190850) is 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccccc5=O)cc4)CC3)c2c1.
What is the InChIKey of 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The InChIKey is GNEYFGFMJGANFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c28-19-21-6-11-26-25(18-21)22(20-29-26)4-3-12-30-14-16-31(17-15-30)23-7-9-24(10-8-23)32-13-2-1-5-27(32)33/h1-2,5-11,13,18,20,29H,3-4,12,14-17H2.
What are the key properties of 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile has a molecular weight of 437.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-(2-oxo-1-pyridinyl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 118190850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).