2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine

C52H77N7O11 — CID 159346204

IUPAC2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine
SMILESCOCCCCc1cccnc1OC.COCCCCc1ccncc1OC.COCCCOc1cccnc1OC.COCCCOc1ccncc1OC.COCCCc1cnc2ncccn12
InChIInChI=1S/2C11H17NO2.C10H13N3O.2C10H15NO3/c1-13-9-4-3-6-10-7-5-8-12-11(10)14-2;1-13-8-4-3-5-10-6-7-12-9-11(10)14-2;1-14-7-2-4-9-8-12-10-11-5-3-6-13(9)10;1-12-6-3-7-14-9-4-5-11-8-10(9)13-2;1-12-7-4-8-14-9-5-3-6-11-10(9)13-2/h5,7-8H,3-4,6,9H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3,5-6,8H,2,4,7H2,1H3;4-5,8H,3,6-7H2,1-2H3;3,5-6H,4,7-8H2,1-2H3
InChIKeyLGTIYNNNFKWKBB-UHFFFAOYSA-N
MW976.23 g/mol
LogP8.44
Rot. Bonds28

About 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine

2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine (PubChem CID 159346204) has the molecular formula C52H77N7O11 and a molecular weight of 976.23 g/mol. Its IUPAC name is 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine
PubChem CID159346204
Molecular FormulaC52H77N7O11
Molecular Weight976.23 g/mol
Exact Mass975.57
IUPAC Name2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine
SMILESCOCCCCc1cccnc1OC.COCCCCc1ccncc1OC.COCCCOc1cccnc1OC.COCCCOc1ccncc1OC.COCCCc1cnc2ncccn12
InChIInChI=1S/2C11H17NO2.C10H13N3O.2C10H15NO3/c1-13-9-4-3-6-10-7-5-8-12-11(10)14-2;1-13-8-4-3-5-10-6-7-12-9-11(10)14-2;1-14-7-2-4-9-8-12-10-11-5-3-6-13(9)10;1-12-6-3-7-14-9-4-5-11-8-10(9)13-2;1-12-7-4-8-14-9-5-3-6-11-10(9)13-2/h5,7-8H,3-4,6,9H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3,5-6,8H,2,4,7H2,1H3;4-5,8H,3,6-7H2,1-2H3;3,5-6H,4,7-8H2,1-2H3
InChIKeyLGTIYNNNFKWKBB-UHFFFAOYSA-N
XLogP8.44
TPSA183.28 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.23
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
3-(3-Methoxy-4-((6-methoxypyridin-3-yl)methoxy)benzyl)-6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 118009789
5-[5-[(4-Methoxyphenyl)methyl]-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 52917607
1-Methyl-3-[3-(3-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707957
5-[4-[(4-Methoxyphenyl)methyl]-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 137633055
3-(5,6-Dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 46913421
4-[3-[[3-Methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
CID 118009791
4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647497
4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647529
4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647567
US10100057, Example 99
CID 122506554
US10100057, Example 86
CID 122506574

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine (CID 159346204) is 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine is COCCCCc1cccnc1OC.COCCCCc1ccncc1OC.COCCCOc1cccnc1OC.COCCCOc1ccncc1OC.COCCCc1cnc2ncccn12.
What is the InChIKey of 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine?
The InChIKey is LGTIYNNNFKWKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17NO2.C10H13N3O.2C10H15NO3/c1-13-9-4-3-6-10-7-5-8-12-11(10)14-2;1-13-8-4-3-5-10-6-7-12-9-11(10)14-2;1-14-7-2-4-9-8-12-10-11-5-3-6-13(9)10;1-12-6-3-7-14-9-4-5-11-8-10(9)13-2;1-12-7-4-8-14-9-5-3-6-11-10(9)13-2/h5,7-8H,3-4,6,9H2,1-2H3;6-7,9H,3-5,8H2,1-2H3;3,5-6,8H,2,4,7H2,1H3;4-5,8H,3,6-7H2,1-2H3;3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine?
2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine has a molecular weight of 976.23 g/mol, XLogP of 8.44, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methoxybutyl)pyridine;3-methoxy-4-(4-methoxybutyl)pyridine;2-methoxy-3-(3-methoxypropoxy)pyridine;3-methoxy-4-(3-methoxypropoxy)pyridine;3-(3-methoxypropyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 159346204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).