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

C14H12N6S — CID 11716328

IUPAC3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccs4)nccn23)cn1
InChIInChI=1S/C14H12N6S/c1-19-9-10(7-17-19)11-8-16-14-13(15-4-5-20(11)14)18-12-3-2-6-21-12/h2-9H,1H3,(H,15,18)
InChIKeyNRFVLOIFMNIWHB-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.93
Rot. Bonds3

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

3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 11716328) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
PubChem CID11716328
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccs4)nccn23)cn1
InChIInChI=1S/C14H12N6S/c1-19-9-10(7-17-19)11-8-16-14-13(15-4-5-20(11)14)18-12-3-2-6-21-12/h2-9H,1H3,(H,15,18)
InChIKeyNRFVLOIFMNIWHB-UHFFFAOYSA-N
XLogP2.93
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.93
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-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine (CID 11716328) is 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4cccs4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is NRFVLOIFMNIWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-19-9-10(7-17-19)11-8-16-14-13(15-4-5-20(11)14)18-12-3-2-6-21-12/h2-9H,1H3,(H,15,18).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 296.36 g/mol, XLogP of 2.93, 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-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 11716328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).