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

C21H19N3O4S — CID 46948464

IUPACN-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1cc(-c2cnc3c(NC=O)cc(-c4ccsc4)cn23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4S/c1-26-18-7-14(8-19(27-2)20(18)28-3)17-9-22-21-16(23-12-25)6-15(10-24(17)21)13-4-5-29-11-13/h4-12H,1-3H3,(H,23,25)
InChIKeyASCLMEXKBFTBOQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.32
Rot. Bonds7

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

N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46948464) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46948464
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1cc(-c2cnc3c(NC=O)cc(-c4ccsc4)cn23)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4S/c1-26-18-7-14(8-19(27-2)20(18)28-3)17-9-22-21-16(23-12-25)6-15(10-24(17)21)13-4-5-29-11-13/h4-12H,1-3H3,(H,23,25)
InChIKeyASCLMEXKBFTBOQ-UHFFFAOYSA-N
XLogP4.32
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.32
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-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (CID 46948464) is N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is COc1cc(-c2cnc3c(NC=O)cc(-c4ccsc4)cn23)cc(OC)c1OC.
What is the InChIKey of N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is ASCLMEXKBFTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-26-18-7-14(8-19(27-2)20(18)28-3)17-9-22-21-16(23-12-25)6-15(10-24(17)21)13-4-5-29-11-13/h4-12H,1-3H3,(H,23,25).
What are the key properties of N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 409.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-thiophen-3-yl-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46948464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).