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

C19H21N7S — CID 58873935

IUPAC3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCNCC5)cs4)nccn23)cn1
InChIInChI=1S/C19H21N7S/c1-25-11-15(9-23-25)16-10-22-19-18(21-6-7-26(16)19)24-17-8-14(12-27-17)13-2-4-20-5-3-13/h6-13,20H,2-5H2,1H3,(H,21,24)
InChIKeyBXXACKJEPJSYNP-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.40
Rot. Bonds4

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

3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58873935) has the molecular formula C19H21N7S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58873935
Molecular FormulaC19H21N7S
Molecular Weight379.49 g/mol
Exact Mass379.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CCNCC5)cs4)nccn23)cn1
InChIInChI=1S/C19H21N7S/c1-25-11-15(9-23-25)16-10-22-19-18(21-6-7-26(16)19)24-17-8-14(12-27-17)13-2-4-20-5-3-13/h6-13,20H,2-5H2,1H3,(H,21,24)
InChIKeyBXXACKJEPJSYNP-UHFFFAOYSA-N
XLogP3.40
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine (CID 58873935) is 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4cc(C5CCNCC5)cs4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BXXACKJEPJSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7S/c1-25-11-15(9-23-25)16-10-22-19-18(21-6-7-26(16)19)24-17-8-14(12-27-17)13-2-4-20-5-3-13/h6-13,20H,2-5H2,1H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 379.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(4-piperidin-4-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58873935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).