2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide

C28H33N5O3S — CID 170178531

IUPAC2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
SMILESCOc1cc(-c2cncc(-c3cc(NC(=O)CC4CCCC4)cs3)n2)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C28H33N5O3S/c1-32-9-11-33(12-10-32)28(35)22-8-7-20(14-25(22)36-2)23-16-29-17-24(31-23)26-15-21(18-37-26)30-27(34)13-19-5-3-4-6-19/h7-8,14-19H,3-6,9-13H2,1-2H3,(H,30,34)
InChIKeyGEZUOOHHCXRWNT-UHFFFAOYSA-N
MW519.67 g/mol
LogP4.79
Rot. Bonds7

About 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide

2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide (PubChem CID 170178531) has the molecular formula C28H33N5O3S and a molecular weight of 519.67 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
PubChem CID170178531
Molecular FormulaC28H33N5O3S
Molecular Weight519.67 g/mol
Exact Mass519.23
IUPAC Name2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
SMILESCOc1cc(-c2cncc(-c3cc(NC(=O)CC4CCCC4)cs3)n2)ccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C28H33N5O3S/c1-32-9-11-33(12-10-32)28(35)22-8-7-20(14-25(22)36-2)23-16-29-17-24(31-23)26-15-21(18-37-26)30-27(34)13-19-5-3-4-6-19/h7-8,14-19H,3-6,9-13H2,1-2H3,(H,30,34)
InChIKeyGEZUOOHHCXRWNT-UHFFFAOYSA-N
XLogP4.79
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-[(2-cyclobutylacetyl)amino]thiophen-2-yl]pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylbenzamide
CID 170178074
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178044
4-[6-[4-[[2-(3-fluorocyclobutyl)acetyl]amino]thiophen-2-yl]pyrazin-2-yl]-2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 170178172
4-[6-[4-[[2-(1-aminocyclobutyl)acetyl]amino]thiophen-2-yl]pyrazin-2-yl]-2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 170178175
2-cyclopropyl-N-[5-[6-[4-[2-(dimethylamino)ethyl-methylsulfamoyl]-3-methoxyphenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178181
N-[5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 170178372
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
CID 108766079
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700
[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42845923
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide (CID 170178531) is 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide is COc1cc(-c2cncc(-c3cc(NC(=O)CC4CCCC4)cs3)n2)ccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
The InChIKey is GEZUOOHHCXRWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3S/c1-32-9-11-33(12-10-32)28(35)22-8-7-20(14-25(22)36-2)23-16-29-17-24(31-23)26-15-21(18-37-26)30-27(34)13-19-5-3-4-6-19/h7-8,14-19H,3-6,9-13H2,1-2H3,(H,30,34).
What are the key properties of 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide?
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide has a molecular weight of 519.67 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide is sourced from PubChem (CID 170178531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).