[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C18H17N7OS — CID 118611826

IUPAC[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESNc1nc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c2ccsc2n1
InChIInChI=1S/C18H17N7OS/c19-18-21-15(12-4-10-27-16(12)22-18)23-6-8-24(9-7-23)17(26)13-11-25-5-2-1-3-14(25)20-13/h1-5,10-11H,6-9H2,(H2,19,21,22)
InChIKeyLHXFLYBVHGURSG-UHFFFAOYSA-N
MW379.45 g/mol
LogP1.88
Rot. Bonds2

About [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 118611826) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID118611826
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC Name[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESNc1nc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c2ccsc2n1
InChIInChI=1S/C18H17N7OS/c19-18-21-15(12-4-10-27-16(12)22-18)23-6-8-24(9-7-23)17(26)13-11-25-5-2-1-3-14(25)20-13/h1-5,10-11H,6-9H2,(H2,19,21,22)
InChIKeyLHXFLYBVHGURSG-UHFFFAOYSA-N
XLogP1.88
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 118611826) is [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is Nc1nc(N2CCN(C(=O)c3cn4ccccc4n3)CC2)c2ccsc2n1.
What is the InChIKey of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is LHXFLYBVHGURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c19-18-21-15(12-4-10-27-16(12)22-18)23-6-8-24(9-7-23)17(26)13-11-25-5-2-1-3-14(25)20-13/h1-5,10-11H,6-9H2,(H2,19,21,22).
What are the key properties of [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 379.45 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 118611826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).