5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile

C26H24F2N4O3 — CID 132576489

IUPAC5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3F)n3c(CN(C)C)cnc3c2C#N)cc(OC)c1OC
InChIInChI=1S/C26H24F2N4O3/c1-31(2)14-17-13-30-26-20(12-29)19(15-8-23(33-3)25(35-5)24(9-15)34-4)11-22(32(17)26)18-7-6-16(27)10-21(18)28/h6-11,13H,14H2,1-5H3
InChIKeyFJVNIHIASFVCKM-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.91
Rot. Bonds7

About 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile

5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 132576489) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID132576489
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(F)cc3F)n3c(CN(C)C)cnc3c2C#N)cc(OC)c1OC
InChIInChI=1S/C26H24F2N4O3/c1-31(2)14-17-13-30-26-20(12-29)19(15-8-23(33-3)25(35-5)24(9-15)34-4)11-22(32(17)26)18-7-6-16(27)10-21(18)28/h6-11,13H,14H2,1-5H3
InChIKeyFJVNIHIASFVCKM-UHFFFAOYSA-N
XLogP4.91
TPSA72.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 132576489) is 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile is COc1cc(-c2cc(-c3ccc(F)cc3F)n3c(CN(C)C)cnc3c2C#N)cc(OC)c1OC.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is FJVNIHIASFVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c1-31(2)14-17-13-30-26-20(12-29)19(15-8-23(33-3)25(35-5)24(9-15)34-4)11-22(32(17)26)18-7-6-16(27)10-21(18)28/h6-11,13H,14H2,1-5H3.
What are the key properties of 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 478.50 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 132576489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).