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

C28H26F2N4O3 — CID 132576485

IUPAC5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3F)n3c(CN4CCCC4)cnc3c2C#N)c(OC)c1OC
InChIInChI=1S/C28H26F2N4O3/c1-35-25-9-8-19(26(36-2)27(25)37-3)21-13-24(20-7-6-17(29)12-23(20)30)34-18(16-33-10-4-5-11-33)15-32-28(34)22(21)14-31/h6-9,12-13,15H,4-5,10-11,16H2,1-3H3
InChIKeyXJPQAXXYOXQQLC-UHFFFAOYSA-N
MW504.54 g/mol
LogP5.44
Rot. Bonds7

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

5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 132576485) has the molecular formula C28H26F2N4O3 and a molecular weight of 504.54 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID132576485
Molecular FormulaC28H26F2N4O3
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC Name5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3F)n3c(CN4CCCC4)cnc3c2C#N)c(OC)c1OC
InChIInChI=1S/C28H26F2N4O3/c1-35-25-9-8-19(26(36-2)27(25)37-3)21-13-24(20-7-6-17(29)12-23(20)30)34-18(16-33-10-4-5-11-33)15-32-28(34)22(21)14-31/h6-9,12-13,15H,4-5,10-11,16H2,1-3H3
InChIKeyXJPQAXXYOXQQLC-UHFFFAOYSA-N
XLogP5.44
TPSA72.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(((4-Cyanophenyl)(1-methyl-1h-imidazol-5-yl)methoxy)methyl)-6-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carbonitrile
CID 10206356
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 146659129
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53328037
2-Amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329979
2-Amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53330148
2-(3,4-Dimethoxyphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
CID 16188808
4-[3-(3,4,5-Trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 68654838
3-(1,3-Benzodioxol-5-yl)-6-(2-methylphenyl)imidazo[1,2-a]pyrazine
CID 117770440
2-Methoxy-5-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 135222832
3-Methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401390
5-[2-Ethyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-methoxyphenol
CID 142401421

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 132576485) is 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile is COc1ccc(-c2cc(-c3ccc(F)cc3F)n3c(CN4CCCC4)cnc3c2C#N)c(OC)c1OC.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is XJPQAXXYOXQQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O3/c1-35-25-9-8-19(26(36-2)27(25)37-3)21-13-24(20-7-6-17(29)12-23(20)30)34-18(16-33-10-4-5-11-33)15-32-28(34)22(21)14-31/h6-9,12-13,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile?
5-(2,4-difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 504.54 g/mol, XLogP of 5.44, 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-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 132576485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).