(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone

C15H14N4OS — CID 110110280

IUPAC(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccnc3nccn23)C1
InChIInChI=1S/C15H14N4OS/c20-14(13-2-1-9-21-13)18-7-4-11(10-18)12-3-5-16-15-17-6-8-19(12)15/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyZMCWKJMZSGTJEO-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.42
Rot. Bonds2

About (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone

(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 110110280) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
PubChem CID110110280
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccnc3nccn23)C1
InChIInChI=1S/C15H14N4OS/c20-14(13-2-1-9-21-13)18-7-4-11(10-18)12-3-5-16-15-17-6-8-19(12)15/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyZMCWKJMZSGTJEO-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214031
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
N-methyl-7-[(3R)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 125015720
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
[3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 132764006
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124975853
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115

Frequently Asked Questions

What is the IUPAC name of (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone (CID 110110280) is (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2ccnc3nccn23)C1.
What is the InChIKey of (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is ZMCWKJMZSGTJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-14(13-2-1-9-21-13)18-7-4-11(10-18)12-3-5-16-15-17-6-8-19(12)15/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 298.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110110280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).