(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine

C21H26N4O2 — CID 163278965

IUPAC(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
SMILESC=CCCOc1cc(-c2nc([C@@H](C)NCC)ccc2OC)cn2ccnc12
InChIInChI=1S/C21H26N4O2/c1-5-7-12-27-19-13-16(14-25-11-10-23-21(19)25)20-18(26-4)9-8-17(24-20)15(3)22-6-2/h5,8-11,13-15,22H,1,6-7,12H2,2-4H3/t15-/m1/s1
InChIKeyAGFCBAASYUVJSE-OAHLLOKOSA-N
MW366.47 g/mol
LogP4.03
Rot. Bonds9

About (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine

(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine (PubChem CID 163278965) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
PubChem CID163278965
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
SMILESC=CCCOc1cc(-c2nc([C@@H](C)NCC)ccc2OC)cn2ccnc12
InChIInChI=1S/C21H26N4O2/c1-5-7-12-27-19-13-16(14-25-11-10-23-21(19)25)20-18(26-4)9-8-17(24-20)15(3)22-6-2/h5,8-11,13-15,22H,1,6-7,12H2,2-4H3/t15-/m1/s1
InChIKeyAGFCBAASYUVJSE-OAHLLOKOSA-N
XLogP4.03
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
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

(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278222
(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]-N-ethylethanamine
CID 163278852
6-bromo-8-but-3-enoxyimidazo[1,2-a]pyrazine
CID 79956193
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
tributyl-[8-[4-(2-fluoroethoxy)-3-methoxyphenyl]imidazo[1,2-a]pyridin-6-yl]stannane
CID 87548314
1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-butoxysulfanyl-N-ethylethanamine
CID 163278373
1-but-3-enoxy-2-methoxybenzene
CID 56629510
[8-(2-methoxy-4-methylphenoxy)imidazo[1,2-a]pyrazin-6-yl]hydrazine
CID 80909010
N-[[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 167047220
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672
N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine (CID 163278965) is (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine is C=CCCOc1cc(-c2nc([C@@H](C)NCC)ccc2OC)cn2ccnc12.
What is the InChIKey of (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
The InChIKey is AGFCBAASYUVJSE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-5-7-12-27-19-13-16(14-25-11-10-23-21(19)25)20-18(26-4)9-8-17(24-20)15(3)22-6-2/h5,8-11,13-15,22H,1,6-7,12H2,2-4H3/t15-/m1/s1.
What are the key properties of (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine?
(1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine has a molecular weight of 366.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(8-but-3-enoxyimidazo[1,2-a]pyridin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 163278965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).