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

C17H18N4OS — CID 124970271

IUPAC1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC[C@@H]1c1ccn2ccnc2n1
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/t15-/m1/s1
InChIKeyJOUFNNMCWDMNTR-OAHLLOKOSA-N
MW326.42 g/mol
LogP3.09
Rot. Bonds3

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

1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 124970271) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID124970271
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC[C@@H]1c1ccn2ccnc2n1
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/t15-/m1/s1
InChIKeyJOUFNNMCWDMNTR-OAHLLOKOSA-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

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

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Related Compounds

1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 90564177
1-[2-(4-methylphenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 50747412
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 71928854
2-thiophen-2-yl-1-[2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91815998
N-[[4-[1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095732
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
CID 124963028
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 92731961

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone (CID 124970271) is 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCC[C@@H]1c1ccn2ccnc2n1.
What is the InChIKey of 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is JOUFNNMCWDMNTR-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone?
1-[(2R)-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-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 124970271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).