1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine

C29H35N7O — CID 123842302

IUPAC1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine
SMILESC=C(/N=C(\C)c1cnc2n1CCC=C2)c1c(CC)nn(Cc2cccc(OC=C3CCCN3C)n2)c1C
InChIInChI=1S/C29H35N7O/c1-6-25-29(21(3)31-20(2)26-17-30-27-13-7-8-16-35(26)27)22(4)36(33-25)18-23-11-9-14-28(32-23)37-19-24-12-10-15-34(24)5/h7,9,11,13-14,17,19H,3,6,8,10,12,15-16,18H2,1-2,4-5H3/b24-19?,31-20+
InChIKeyXXNYOHXWNXUEQY-OVCLKPDCSA-N
MW497.65 g/mol
LogP5.24
Rot. Bonds8

About 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine

1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine (PubChem CID 123842302) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine.

Molecular Properties

Compound Name1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine
PubChem CID123842302
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine
SMILESC=C(/N=C(\C)c1cnc2n1CCC=C2)c1c(CC)nn(Cc2cccc(OC=C3CCCN3C)n2)c1C
InChIInChI=1S/C29H35N7O/c1-6-25-29(21(3)31-20(2)26-17-30-27-13-7-8-16-35(26)27)22(4)36(33-25)18-23-11-9-14-28(32-23)37-19-24-12-10-15-34(24)5/h7,9,11,13-14,17,19H,3,6,8,10,12,15-16,18H2,1-2,4-5H3/b24-19?,31-20+
InChIKeyXXNYOHXWNXUEQY-OVCLKPDCSA-N
XLogP5.24
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.65
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284285
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 38
CID 118288258
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-N,2-dimethyl-1,2,4-triazol-3-amine
CID 67609354
2-[2-(2-Methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525854
6-(1-Cyclopropylpyrazol-4-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179849
N-[(3R)-1-[3-(6-methoxy-3-pyridinyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217254
2-[6-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-3-pyridinyl]-7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 137550010

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine?
The IUPAC name of 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine (CID 123842302) is 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine.
What is the SMILES notation for 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine?
The canonical SMILES for 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine is C=C(/N=C(\C)c1cnc2n1CCC=C2)c1c(CC)nn(Cc2cccc(OC=C3CCCN3C)n2)c1C.
What is the InChIKey of 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine?
The InChIKey is XXNYOHXWNXUEQY-OVCLKPDCSA-N. The full InChI is InChI=1S/C29H35N7O/c1-6-25-29(21(3)31-20(2)26-17-30-27-13-7-8-16-35(26)27)22(4)36(33-25)18-23-11-9-14-28(32-23)37-19-24-12-10-15-34(24)5/h7,9,11,13-14,17,19H,3,6,8,10,12,15-16,18H2,1-2,4-5H3/b24-19?,31-20+.
What are the key properties of 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine?
1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine has a molecular weight of 497.65 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydroimidazo[1,2-a]pyridin-3-yl)-N-[1-[3-ethyl-5-methyl-1-[[6-[(1-methylpyrrolidin-2-ylidene)methoxy]-2-pyridinyl]methyl]pyrazol-4-yl]ethenyl]ethanimine is sourced from PubChem (CID 123842302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).