3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

C15H14N6S — CID 11558640

IUPAC3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1
InChIInChI=1S/C15H14N6S/c1-10-5-13(22-9-10)19-14-15-17-7-12(21(15)4-3-16-14)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,16,19)
InChIKeyTXEUFNKGSNNRLH-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.24
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 11558640) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID11558640
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1
InChIInChI=1S/C15H14N6S/c1-10-5-13(22-9-10)19-14-15-17-7-12(21(15)4-3-16-14)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,16,19)
InChIKeyTXEUFNKGSNNRLH-UHFFFAOYSA-N
XLogP3.24
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (CID 11558640) is 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is TXEUFNKGSNNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-10-5-13(22-9-10)19-14-15-17-7-12(21(15)4-3-16-14)11-6-18-20(2)8-11/h3-9H,1-2H3,(H,16,19).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 310.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 11558640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).