2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C26H24N8S2 — CID 122183059

IUPAC2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESc1csc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4cccs4)nc4ncccn34)CC2)c1
InChIInChI=1S/C26H24N8S2/c1-5-21(35-15-1)23-19(33-9-3-7-27-25(33)29-23)17-31-11-13-32(14-12-31)18-20-24(22-6-2-16-36-22)30-26-28-8-4-10-34(20)26/h1-10,15-16H,11-14,17-18H2
InChIKeyQKCBTCPINDAUMN-UHFFFAOYSA-N
MW512.67 g/mol
LogP4.55
Rot. Bonds6

About 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183059) has the molecular formula C26H24N8S2 and a molecular weight of 512.67 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID122183059
Molecular FormulaC26H24N8S2
Molecular Weight512.67 g/mol
Exact Mass512.16
IUPAC Name2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESc1csc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4cccs4)nc4ncccn34)CC2)c1
InChIInChI=1S/C26H24N8S2/c1-5-21(35-15-1)23-19(33-9-3-7-27-25(33)29-23)17-31-11-13-32(14-12-31)18-20-24(22-6-2-16-36-22)30-26-28-8-4-10-34(20)26/h1-10,15-16H,11-14,17-18H2
InChIKeyQKCBTCPINDAUMN-UHFFFAOYSA-N
XLogP4.55
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.67
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183059) is 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is c1csc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4cccs4)nc4ncccn34)CC2)c1.
What is the InChIKey of 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is QKCBTCPINDAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8S2/c1-5-21(35-15-1)23-19(33-9-3-7-27-25(33)29-23)17-31-11-13-32(14-12-31)18-20-24(22-6-2-16-36-22)30-26-28-8-4-10-34(20)26/h1-10,15-16H,11-14,17-18H2.
What are the key properties of 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 512.67 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-[[4-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).