1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone

C17H18N4OS — CID 110118146

IUPAC1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCCC1c1ccn2ccnc2n1
InChIInChI=1S/C17H18N4OS/c22-16(12-13-4-3-11-23-13)21-8-2-1-5-15(21)14-6-9-20-10-7-18-17(20)19-14/h3-4,6-7,9-11,15H,1-2,5,8,12H2
InChIKeyJOUFNNMCWDMNTR-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.09
Rot. Bonds3

About 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone

1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 110118146) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID110118146
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCCC1c1ccn2ccnc2n1
InChIInChI=1S/C17H18N4OS/c22-16(12-13-4-3-11-23-13)21-8-2-1-5-15(21)14-6-9-20-10-7-18-17(20)19-14/h3-4,6-7,9-11,15H,1-2,5,8,12H2
InChIKeyJOUFNNMCWDMNTR-UHFFFAOYSA-N
XLogP3.09
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 110118146) is 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCCC1c1ccn2ccnc2n1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is JOUFNNMCWDMNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-16(12-13-4-3-11-23-13)21-8-2-1-5-15(21)14-6-9-20-10-7-18-17(20)19-14/h3-4,6-7,9-11,15H,1-2,5,8,12H2.
What are the key properties of 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 326.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 110118146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).