7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide

C20H24N6OS — CID 139578266

IUPAC7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1
InChIInChI=1S/C20H24N6OS/c1-13-12-24-17-16(21)18(28-20(17)25-13)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26/h2-5,12,22H,6-11,21H2,1H3,(H,23,27)
InChIKeyDDSYMWYFBWUMQR-UHFFFAOYSA-N
MW396.52 g/mol
LogP1.96
Rot. Bonds5

About 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide

7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 139578266) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID139578266
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1
InChIInChI=1S/C20H24N6OS/c1-13-12-24-17-16(21)18(28-20(17)25-13)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26/h2-5,12,22H,6-11,21H2,1H3,(H,23,27)
InChIKeyDDSYMWYFBWUMQR-UHFFFAOYSA-N
XLogP1.96
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide (CID 139578266) is 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1.
What is the InChIKey of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is DDSYMWYFBWUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-12-24-17-16(21)18(28-20(17)25-13)19(27)23-7-6-14-2-4-15(5-3-14)26-10-8-22-9-11-26/h2-5,12,22H,6-11,21H2,1H3,(H,23,27).
What are the key properties of 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-N-[2-(4-piperazin-1-ylphenyl)ethyl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 139578266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).