7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine

C17H24N4S — CID 117236324

IUPAC7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESc1cn2cc(CC3CCSCC3)nc2cc1N1CCNCC1
InChIInChI=1S/C17H24N4S/c1-6-21-13-15(11-14-2-9-22-10-3-14)19-17(21)12-16(1)20-7-4-18-5-8-20/h1,6,12-14,18H,2-5,7-11H2
InChIKeyYKRCAFWUDIRCPM-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.43
Rot. Bonds3

About 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine

7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117236324) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117236324
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
SMILESc1cn2cc(CC3CCSCC3)nc2cc1N1CCNCC1
InChIInChI=1S/C17H24N4S/c1-6-21-13-15(11-14-2-9-22-10-3-14)19-17(21)12-16(1)20-7-4-18-5-8-20/h1,6,12-14,18H,2-5,7-11H2
InChIKeyYKRCAFWUDIRCPM-UHFFFAOYSA-N
XLogP2.43
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine (CID 117236324) is 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine is c1cn2cc(CC3CCSCC3)nc2cc1N1CCNCC1.
What is the InChIKey of 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is YKRCAFWUDIRCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-6-21-13-15(11-14-2-9-22-10-3-14)19-17(21)12-16(1)20-7-4-18-5-8-20/h1,6,12-14,18H,2-5,7-11H2.
What are the key properties of 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine?
7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 316.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117236324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).