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

C25H25N3O6 — CID 46943780

IUPACN-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)c(OC)c1
InChIInChI=1S/C25H25N3O6/c1-30-17-6-7-18(21(11-17)31-2)16-8-19(27-14-29)25-26-12-20(28(25)13-16)15-9-22(32-3)24(34-5)23(10-15)33-4/h6-14H,1-5H3,(H,27,29)
InChIKeyVQVKFQXMYFTUOW-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.28
Rot. Bonds9

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

N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46943780) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46943780
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC NameN-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)c(OC)c1
InChIInChI=1S/C25H25N3O6/c1-30-17-6-7-18(21(11-17)31-2)16-8-19(27-14-29)25-26-12-20(28(25)13-16)15-9-22(32-3)24(34-5)23(10-15)33-4/h6-14H,1-5H3,(H,27,29)
InChIKeyVQVKFQXMYFTUOW-UHFFFAOYSA-N
XLogP4.28
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (CID 46943780) is N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is COc1ccc(-c2cc(NC=O)c3ncc(-c4cc(OC)c(OC)c(OC)c4)n3c2)c(OC)c1.
What is the InChIKey of N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is VQVKFQXMYFTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-30-17-6-7-18(21(11-17)31-2)16-8-19(27-14-29)25-26-12-20(28(25)13-16)15-9-22(32-3)24(34-5)23(10-15)33-4/h6-14H,1-5H3,(H,27,29).
What are the key properties of N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 463.49 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).