N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

C25H23N3O5 — CID 46948689

IUPACN-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1cc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O5/c1-15(30)16-5-7-17(8-6-16)21-12-26-25-20(27-14-29)9-19(13-28(21)25)18-10-22(31-2)24(33-4)23(11-18)32-3/h5-14H,1-4H3,(H,27,29)
InChIKeyAMKIMNGSXRZXKP-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.47
Rot. Bonds8

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

N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46948689) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46948689
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1cc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O5/c1-15(30)16-5-7-17(8-6-16)21-12-26-25-20(27-14-29)9-19(13-28(21)25)18-10-22(31-2)24(33-4)23(11-18)32-3/h5-14H,1-4H3,(H,27,29)
InChIKeyAMKIMNGSXRZXKP-UHFFFAOYSA-N
XLogP4.47
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
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-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (CID 46948689) is N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is COc1cc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is AMKIMNGSXRZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15(30)16-5-7-17(8-6-16)21-12-26-25-20(27-14-29)9-19(13-28(21)25)18-10-22(31-2)24(33-4)23(11-18)32-3/h5-14H,1-4H3,(H,27,29).
What are the key properties of N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 445.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46948689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).