2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile

C26H21N5O3S — CID 59699676

IUPAC2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C26H21N5O3S/c27-16-19-24(29-11-13-30(14-12-29)26(34)22-9-5-15-35-22)23-20(8-4-10-28-23)31(25(19)33)17-21(32)18-6-2-1-3-7-18/h1-10,15H,11-14,17H2
InChIKeyLJUGURSKGJMTLD-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.17
Rot. Bonds5

About 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile

2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile (PubChem CID 59699676) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
PubChem CID59699676
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC Name2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C26H21N5O3S/c27-16-19-24(29-11-13-30(14-12-29)26(34)22-9-5-15-35-22)23-20(8-4-10-28-23)31(25(19)33)17-21(32)18-6-2-1-3-7-18/h1-10,15H,11-14,17H2
InChIKeyLJUGURSKGJMTLD-UHFFFAOYSA-N
XLogP3.17
TPSA99.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one
CID 71166960
1-(methylsulfinylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 58799218
2-[3-cyano-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 58799121
1-benzyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carbonitrile
CID 59699670
1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081868
2-oxo-1-pentyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081937
1-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081879
2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 21081944
1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081877
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carbonitrile
CID 59699625
2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile
CID 69314035

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile (CID 59699676) is 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2n(CC(=O)c2ccccc2)c1=O.
What is the InChIKey of 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
The InChIKey is LJUGURSKGJMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3S/c27-16-19-24(29-11-13-30(14-12-29)26(34)22-9-5-15-35-22)23-20(8-4-10-28-23)31(25(19)33)17-21(32)18-6-2-1-3-7-18/h1-10,15H,11-14,17H2.
What are the key properties of 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile?
2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile has a molecular weight of 483.55 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 59699676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).