N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine

C24H16N4S — CID 69318687

IUPACN-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESC(#Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C24H16N4S/c1-3-7-18(8-4-1)11-12-20-13-14-21(29-20)23-24(26-19-9-5-2-6-10-19)28-16-15-25-17-22(28)27-23/h1-10,13-17,26H
InChIKeyUSGBIZKUFPXSNL-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.60
Rot. Bonds3

About N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine

N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 69318687) has the molecular formula C24H16N4S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID69318687
Molecular FormulaC24H16N4S
Molecular Weight392.49 g/mol
Exact Mass392.11
IUPAC NameN-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESC(#Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C24H16N4S/c1-3-7-18(8-4-1)11-12-20-13-14-21(29-20)23-24(26-19-9-5-2-6-10-19)28-16-15-25-17-22(28)27-23/h1-10,13-17,26H
InChIKeyUSGBIZKUFPXSNL-UHFFFAOYSA-N
XLogP5.60
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

E6Clv6G2RR
CID 16750138
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol
CID 20823993
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (CID 69318687) is N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is C(#Cc1ccc(-c2nc3cnccn3c2Nc2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is USGBIZKUFPXSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S/c1-3-7-18(8-4-1)11-12-20-13-14-21(29-20)23-24(26-19-9-5-2-6-10-19)28-16-15-25-17-22(28)27-23/h1-10,13-17,26H.
What are the key properties of N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 392.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 69318687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).