(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C16H16ClN5O — CID 70727929

IUPAC(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCC1c2cccn2CCN1C(=O)c1cn2cc(Cl)cnc2n1
InChIInChI=1S/C16H16ClN5O/c1-2-13-14-4-3-5-20(14)6-7-22(13)15(23)12-10-21-9-11(17)8-18-16(21)19-12/h3-5,8-10,13H,2,6-7H2,1H3
InChIKeyMEFZOCRJHFPIGX-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.79
Rot. Bonds2

About (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 70727929) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID70727929
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCCC1c2cccn2CCN1C(=O)c1cn2cc(Cl)cnc2n1
InChIInChI=1S/C16H16ClN5O/c1-2-13-14-4-3-5-20(14)6-7-22(13)15(23)12-10-21-9-11(17)8-18-16(21)19-12/h3-5,8-10,13H,2,6-7H2,1H3
InChIKeyMEFZOCRJHFPIGX-UHFFFAOYSA-N
XLogP2.79
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone with MolForge

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Related Compounds

[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460
(1-methylpyrazol-3-yl)-(1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 110258799
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 51495389
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
CID 136890699
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CID 95724911
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
CID 45253062
[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 84599756
[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methoxy-1-methylindol-2-yl)methanone
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1-cyclopropyl-3-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-methylpyridin-2-one
CID 172669006
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 70742219
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
CID 70741182

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 70727929) is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CCC1c2cccn2CCN1C(=O)c1cn2cc(Cl)cnc2n1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is MEFZOCRJHFPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-2-13-14-4-3-5-20(14)6-7-22(13)15(23)12-10-21-9-11(17)8-18-16(21)19-12/h3-5,8-10,13H,2,6-7H2,1H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 329.79 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 70727929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).