1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone

C20H20N4O2 — CID 163278078

IUPAC1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
SMILESC=CCCOc1nc(-c2cc(C(C)=O)ncc2C2CC2)cn2ccnc12
InChIInChI=1S/C20H20N4O2/c1-3-4-9-26-20-19-21-7-8-24(19)12-18(23-20)15-10-17(13(2)25)22-11-16(15)14-5-6-14/h3,7-8,10-12,14H,1,4-6,9H2,2H3
InChIKeyWVMVYKMBTAGFMV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.83
Rot. Bonds7

About 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone

1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone (PubChem CID 163278078) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
PubChem CID163278078
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
SMILESC=CCCOc1nc(-c2cc(C(C)=O)ncc2C2CC2)cn2ccnc12
InChIInChI=1S/C20H20N4O2/c1-3-4-9-26-20-19-21-7-8-24(19)12-18(23-20)15-10-17(13(2)25)22-11-16(15)14-5-6-14/h3,7-8,10-12,14H,1,4-6,9H2,2H3
InChIKeyWVMVYKMBTAGFMV-UHFFFAOYSA-N
XLogP3.83
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 167047220
6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
CID 79956193
(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
CID 163278852
tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate
CID 163278689
1-[4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]ethanone
CID 164536561
1-[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]ethanone
CID 164536549
(6-bromoimidazo[1,2-a]pyrazin-8-yl) N-cyclopropylcarbamate
CID 87313860
4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine
CID 163278334
8-(2-cyclopropylethoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 106207574
N-ethyl-8-(3-methylbut-3-enoxy)imidazo[1,2-a]pyrazin-6-amine
CID 114471238
1-(8-but-3-enylimidazo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
CID 91534977
3-cyclopropyl-1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 171401122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone (CID 163278078) is 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone is C=CCCOc1nc(-c2cc(C(C)=O)ncc2C2CC2)cn2ccnc12.
What is the InChIKey of 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone?
The InChIKey is WVMVYKMBTAGFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-4-9-26-20-19-21-7-8-24(19)12-18(23-20)15-10-17(13(2)25)22-11-16(15)14-5-6-14/h3,7-8,10-12,14H,1,4-6,9H2,2H3.
What are the key properties of 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone?
1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone has a molecular weight of 348.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone is sourced from PubChem (CID 163278078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).