6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine

C22H17N5S — CID 10452536

IUPAC6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(-c2cn3c(-c4cccs4)cnc3c(NCc3cccnc3)n2)cc1
InChIInChI=1S/C22H17N5S/c1-2-7-17(8-3-1)18-15-27-19(20-9-5-11-28-20)14-25-22(27)21(26-18)24-13-16-6-4-10-23-12-16/h1-12,14-15H,13H2,(H,24,26)
InChIKeyPXWSPUIAJQNESH-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.13
Rot. Bonds5

About 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine

6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 10452536) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
PubChem CID10452536
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC Name6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(-c2cn3c(-c4cccs4)cnc3c(NCc3cccnc3)n2)cc1
InChIInChI=1S/C22H17N5S/c1-2-7-17(8-3-1)18-15-27-19(20-9-5-11-28-20)14-25-22(27)21(26-18)24-13-16-6-4-10-23-12-16/h1-12,14-15H,13H2,(H,24,26)
InChIKeyPXWSPUIAJQNESH-UHFFFAOYSA-N
XLogP5.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine (CID 10452536) is 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine is c1ccc(-c2cn3c(-c4cccs4)cnc3c(NCc3cccnc3)n2)cc1.
What is the InChIKey of 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PXWSPUIAJQNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-2-7-17(8-3-1)18-15-27-19(20-9-5-11-28-20)14-25-22(27)21(26-18)24-13-16-6-4-10-23-12-16/h1-12,14-15H,13H2,(H,24,26).
What are the key properties of 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine?
6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 383.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 10452536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).