4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide

C22H23N7OS — CID 59023121

IUPAC4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3ncc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C22H23N7OS/c1-27-8-10-28(11-9-27)17-4-2-16(3-5-17)26-21-22-24-6-7-29(22)18(13-25-21)15-12-19(20(23)30)31-14-15/h2-7,12-14H,8-11H2,1H3,(H2,23,30)(H,25,26)
InChIKeyFTRKWYPZQHTBDU-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.05
Rot. Bonds5

About 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide

4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide (PubChem CID 59023121) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
PubChem CID59023121
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3ncc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C22H23N7OS/c1-27-8-10-28(11-9-27)17-4-2-16(3-5-17)26-21-22-24-6-7-29(22)18(13-25-21)15-12-19(20(23)30)31-14-15/h2-7,12-14H,8-11H2,1H3,(H2,23,30)(H,25,26)
InChIKeyFTRKWYPZQHTBDU-UHFFFAOYSA-N
XLogP3.05
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide (CID 59023121) is 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide is CN1CCN(c2ccc(Nc3ncc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1.
What is the InChIKey of 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
The InChIKey is FTRKWYPZQHTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-27-8-10-28(11-9-27)17-4-2-16(3-5-17)26-21-22-24-6-7-29(22)18(13-25-21)15-12-19(20(23)30)31-14-15/h2-7,12-14H,8-11H2,1H3,(H2,23,30)(H,25,26).
What are the key properties of 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide?
4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59023121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).