2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile

C23H19N5O2S2 — CID 69314035

IUPAC2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1cc2c(s1)c(N1CCN(C(=O)c3cccs3)CC1)c(C#N)c(=O)n2-c1cccnc1
InChIInChI=1S/C23H19N5O2S2/c1-15-12-18-21(32-15)20(17(13-24)22(29)28(18)16-4-2-6-25-14-16)26-7-9-27(10-8-26)23(30)19-5-3-11-31-19/h2-6,11-12,14H,7-10H2,1H3
InChIKeyACHBQAHUJUOUML-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile

2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 69314035) has the molecular formula C23H19N5O2S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile
PubChem CID69314035
Molecular FormulaC23H19N5O2S2
Molecular Weight461.57 g/mol
Exact Mass461.10
IUPAC Name2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1cc2c(s1)c(N1CCN(C(=O)c3cccs3)CC1)c(C#N)c(=O)n2-c1cccnc1
InChIInChI=1S/C23H19N5O2S2/c1-15-12-18-21(32-15)20(17(13-24)22(29)28(18)16-4-2-6-25-14-16)26-7-9-27(10-8-26)23(30)19-5-3-11-31-19/h2-6,11-12,14H,7-10H2,1H3
InChIKeyACHBQAHUJUOUML-UHFFFAOYSA-N
XLogP3.65
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-benzyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carbonitrile
CID 59699670
1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,6-naphthyridine-3-carbonitrile
CID 59699625
2-oxo-1-phenacyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,5-naphthyridine-3-carbonitrile
CID 59699676
2-oxo-1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile;2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinoline-3-carbonitrile;phenylboronic acid
CID 161053461
1-(methylsulfinylmethyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 58799218
1-(2,2-dimethylpropyl)-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081868
2,6-dimethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133396446
2-oxo-1-pentyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081937
3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carbonitrile
CID 21081944
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-[(4-cyanophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 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) is 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile is Cc1cc2c(s1)c(N1CCN(C(=O)c3cccs3)CC1)c(C#N)c(=O)n2-c1cccnc1.
What is the InChIKey of 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is ACHBQAHUJUOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S2/c1-15-12-18-21(32-15)20(17(13-24)22(29)28(18)16-4-2-6-25-14-16)26-7-9-27(10-8-26)23(30)19-5-3-11-31-19/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile?
2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 461.57 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-4-pyridin-3-yl-7-[4-(thiophene-2-carbonyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 69314035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).