imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C15H14N4OS — CID 94480249

IUPACimidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C15H14N4OS/c20-14(12-9-18-6-2-5-16-15(18)17-12)19-7-1-3-13(19)11-4-8-21-10-11/h2,4-6,8-10,13H,1,3,7H2/t13-/m0/s1
InChIKeyIZQUBCHLBMTLSI-ZDUSSCGKSA-N
MW298.37 g/mol
LogP2.77
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 94480249) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID94480249
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn2cccnc2n1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C15H14N4OS/c20-14(12-9-18-6-2-5-16-15(18)17-12)19-7-1-3-13(19)11-4-8-21-10-11/h2,4-6,8-10,13H,1,3,7H2/t13-/m0/s1
InChIKeyIZQUBCHLBMTLSI-ZDUSSCGKSA-N
XLogP2.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
imidazo[1,2-a]pyrimidin-2-yl-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96574709
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 79318877
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 94480249) is imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1cn2cccnc2n1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is IZQUBCHLBMTLSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-14(12-9-18-6-2-5-16-15(18)17-12)19-7-1-3-13(19)11-4-8-21-10-11/h2,4-6,8-10,13H,1,3,7H2/t13-/m0/s1.
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 298.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94480249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).