2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine

C27H30N4O4 — CID 166156041

IUPAC2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine
SMILESCOCC(/C=C/c1cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)c2o1)OC
InChIInChI=1S/C27H30N4O4/c1-19-5-4-6-20(15-19)23-9-10-31(29-23)26-17-25(30-11-13-34-14-12-30)27-24(28-26)16-21(35-27)7-8-22(33-3)18-32-2/h4-10,15-17,22H,11-14,18H2,1-3H3/b8-7+
InChIKeyXPAZWRYGOFCCQN-BQYQJAHWSA-N
MW474.56 g/mol
LogP4.50
Rot. Bonds8

About 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine

2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine (PubChem CID 166156041) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine
PubChem CID166156041
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine
SMILESCOCC(/C=C/c1cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)c2o1)OC
InChIInChI=1S/C27H30N4O4/c1-19-5-4-6-20(15-19)23-9-10-31(29-23)26-17-25(30-11-13-34-14-12-30)27-24(28-26)16-21(35-27)7-8-22(33-3)18-32-2/h4-10,15-17,22H,11-14,18H2,1-3H3/b8-7+
InChIKeyXPAZWRYGOFCCQN-BQYQJAHWSA-N
XLogP4.50
TPSA74.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridin-2-yl]cyclopent-2-en-1-one
CID 166156101
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
CID 172574534
CID 172574534
7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
CID 166156177
4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156832043
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
4-[4-[3-(3-methylphenyl)pyrazol-1-yl]-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-6-yl]morpholine
CID 172568696
2-[4-[3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]propane-1,2-diol
CID 170269025
4-[6-[(3E,5Z)-7-methylocta-1,3,5-trien-3-yl]-2-[3-(3-methylphenyl)pyrazol-1-yl]-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 166156015
methane;7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine
CID 166156169

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine?
The IUPAC name of 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine (CID 166156041) is 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine?
The canonical SMILES for 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine is COCC(/C=C/c1cc2nc(-n3ccc(-c4cccc(C)c4)n3)cc(N3CCOCC3)c2o1)OC.
What is the InChIKey of 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine?
The InChIKey is XPAZWRYGOFCCQN-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-5-4-6-20(15-19)23-9-10-31(29-23)26-17-25(30-11-13-34-14-12-30)27-24(28-26)16-21(35-27)7-8-22(33-3)18-32-2/h4-10,15-17,22H,11-14,18H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine?
2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine has a molecular weight of 474.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,4-dimethoxybut-1-enyl]-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 166156041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).