1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine

C22H25N5O2 — CID 163278238

IUPAC1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine
SMILESC=CCCOc1nc(-c2cc(C(C)NCC)nc3ccoc23)cn2cc(C)nc12
InChIInChI=1S/C22H25N5O2/c1-5-7-9-29-22-21-24-14(3)12-27(21)13-19(26-22)16-11-18(15(4)23-6-2)25-17-8-10-28-20(16)17/h5,8,10-13,15,23H,1,6-7,9H2,2-4H3
InChIKeyUBIDEYFRSFSEDY-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.47
Rot. Bonds8

About 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine

1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine (PubChem CID 163278238) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine
PubChem CID163278238
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine
SMILESC=CCCOc1nc(-c2cc(C(C)NCC)nc3ccoc23)cn2cc(C)nc12
InChIInChI=1S/C22H25N5O2/c1-5-7-9-29-22-21-24-14(3)12-27(21)13-19(26-22)16-11-18(15(4)23-6-2)25-17-8-10-28-20(16)17/h5,8,10-13,15,23H,1,6-7,9H2,2-4H3
InChIKeyUBIDEYFRSFSEDY-UHFFFAOYSA-N
XLogP4.47
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
CID 163278852
(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278965
(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278222
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 167047220
1-[4-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-5-cyclopropyl-2-pyridinyl]ethanone
CID 163278078
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103339243
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501

Frequently Asked Questions

What is the IUPAC name of 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine (CID 163278238) is 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine is C=CCCOc1nc(-c2cc(C(C)NCC)nc3ccoc23)cn2cc(C)nc12.
What is the InChIKey of 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine?
The InChIKey is UBIDEYFRSFSEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-5-7-9-29-22-21-24-14(3)12-27(21)13-19(26-22)16-11-18(15(4)23-6-2)25-17-8-10-28-20(16)17/h5,8,10-13,15,23H,1,6-7,9H2,2-4H3.
What are the key properties of 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine?
1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine has a molecular weight of 391.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(8-but-3-enoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)furo[3,2-b]pyridin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 163278238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).