N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine

C23H23N5S — CID 69316863

IUPACN-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCNc1cccc(C#Cc2ccc(-c3nc4cnccn4c3NC(C)(C)C)s2)c1
InChIInChI=1S/C23H23N5S/c1-23(2,3)27-22-21(26-20-15-25-12-13-28(20)22)19-11-10-18(29-19)9-8-16-6-5-7-17(14-16)24-4/h5-7,10-15,24,27H,1-4H3
InChIKeyBMDCADFHWUUQKE-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.11
Rot. Bonds3

About N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine

N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 69316863) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID69316863
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
SMILESCNc1cccc(C#Cc2ccc(-c3nc4cnccn4c3NC(C)(C)C)s2)c1
InChIInChI=1S/C23H23N5S/c1-23(2,3)27-22-21(26-20-15-25-12-13-28(20)22)19-11-10-18(29-19)9-8-16-6-5-7-17(14-16)24-4/h5-7,10-15,24,27H,1-4H3
InChIKeyBMDCADFHWUUQKE-UHFFFAOYSA-N
XLogP5.11
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[2-(3-aminophenyl)ethynyl]thiophen-2-yl]-N-tert-butylimidazo[1,2-a]pyrazin-3-amine;hydrochloride
CID 69322338
N-tert-butyl-2-[5-(2-thiophen-3-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
CID 69322640
N-tert-butyl-2-[5-(2-thiophen-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
CID 69322196
N-tert-butyl-2-[5-[2-(1H-indol-6-yl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
CID 69319441
N-tert-butyl-2-[5-[2-(2-methoxyphenyl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
CID 69320361
N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
CID 69318687
N-tert-butyl-2-[5-[2-(2-fluorophenyl)ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine;hydrochloride
CID 69322336
3-[2-[5-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]thiophen-2-yl]ethynyl]-4-fluorobenzonitrile
CID 69320990
N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 11603916
N-tert-butyl-2-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-amine
CID 138536001
N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine
CID 138535783
2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
CID 69316828

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine (CID 69316863) is N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is CNc1cccc(C#Cc2ccc(-c3nc4cnccn4c3NC(C)(C)C)s2)c1.
What is the InChIKey of N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is BMDCADFHWUUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-23(2,3)27-22-21(26-20-15-25-12-13-28(20)22)19-11-10-18(29-19)9-8-16-6-5-7-17(14-16)24-4/h5-7,10-15,24,27H,1-4H3.
What are the key properties of N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine?
N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 401.54 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-[2-[3-(methylamino)phenyl]ethynyl]thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 69316863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).