N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide

C25H24N4O5 — CID 46947961

IUPACN-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C25H24N4O5/c1-15(31)28-19-7-5-6-16(8-19)18-9-20(27-14-30)25-26-12-21(29(25)13-18)17-10-22(32-2)24(34-4)23(11-17)33-3/h5-14H,1-4H3,(H,27,30)(H,28,31)
InChIKeyOTFHCHAOKVGXDR-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.22
Rot. Bonds8

About N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide

N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 46947961) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
PubChem CID46947961
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C25H24N4O5/c1-15(31)28-19-7-5-6-16(8-19)18-9-20(27-14-30)25-26-12-21(29(25)13-18)17-10-22(32-2)24(34-4)23(11-17)33-3/h5-14H,1-4H3,(H,27,30)(H,28,31)
InChIKeyOTFHCHAOKVGXDR-UHFFFAOYSA-N
XLogP4.22
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide (CID 46947961) is N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide is COc1cc(-c2cnc3c(NC=O)cc(-c4cccc(NC(C)=O)c4)cn23)cc(OC)c1OC.
What is the InChIKey of N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is OTFHCHAOKVGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-15(31)28-19-7-5-6-16(8-19)18-9-20(27-14-30)25-26-12-21(29(25)13-18)17-10-22(32-2)24(34-4)23(11-17)33-3/h5-14H,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide?
N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 460.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-formamido-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 46947961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).