3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile

C30H28N6O — CID 118191039

IUPAC3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6ncccc6c5=O)cc4)CC3)c2c1
InChIInChI=1S/C30H28N6O/c31-20-22-5-10-28-27(19-22)23(21-33-28)3-2-13-34-15-17-35(18-16-34)24-6-8-25(9-7-24)36-14-11-29-26(30(36)37)4-1-12-32-29/h1,4-12,14,19,21,33H,2-3,13,15-18H2
InChIKeyQGUBOPJCHFVENQ-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.49
Rot. Bonds6

About 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile

3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile (PubChem CID 118191039) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
PubChem CID118191039
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6ncccc6c5=O)cc4)CC3)c2c1
InChIInChI=1S/C30H28N6O/c31-20-22-5-10-28-27(19-22)23(21-33-28)3-2-13-34-15-17-35(18-16-34)24-6-8-25(9-7-24)36-14-11-29-26(30(36)37)4-1-12-32-29/h1,4-12,14,19,21,33H,2-3,13,15-18H2
InChIKeyQGUBOPJCHFVENQ-UHFFFAOYSA-N
XLogP4.49
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile (CID 118191039) is 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CCCN3CCN(c4ccc(-n5ccc6ncccc6c5=O)cc4)CC3)c2c1.
What is the InChIKey of 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
The InChIKey is QGUBOPJCHFVENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c31-20-22-5-10-28-27(19-22)23(21-33-28)3-2-13-34-15-17-35(18-16-34)24-6-8-25(9-7-24)36-14-11-29-26(30(36)37)4-1-12-32-29/h1,4-12,14,19,21,33H,2-3,13,15-18H2.
What are the key properties of 3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile?
3-[3-[4-[4-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile has a molecular weight of 488.60 g/mol, XLogP of 4.49, 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-(5-oxo-1,6-naphthyridin-6-yl)phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 118191039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).