[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

C25H23N3O3S — CID 155531327

IUPAC[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)c5cccs5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C25H23N3O3S/c1-30-21-7-5-18(14-22(21)31-2)20-16-28-15-19(6-8-24(28)26-20)17-9-11-27(12-10-17)25(29)23-4-3-13-32-23/h3-9,13-16H,10-12H2,1-2H3
InChIKeyHZTBXTSPLBKUEQ-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.01
Rot. Bonds5

About [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone

[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (PubChem CID 155531327) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
PubChem CID155531327
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2cn3cc(C4=CCN(C(=O)c5cccs5)CC4)ccc3n2)cc1OC
InChIInChI=1S/C25H23N3O3S/c1-30-21-7-5-18(14-22(21)31-2)20-16-28-15-19(6-8-24(28)26-20)17-9-11-27(12-10-17)25(29)23-4-3-13-32-23/h3-9,13-16H,10-12H2,1-2H3
InChIKeyHZTBXTSPLBKUEQ-UHFFFAOYSA-N
XLogP5.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone (CID 155531327) is [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is COc1ccc(-c2cn3cc(C4=CCN(C(=O)c5cccs5)CC4)ccc3n2)cc1OC.
What is the InChIKey of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HZTBXTSPLBKUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-30-21-7-5-18(14-22(21)31-2)20-16-28-15-19(6-8-24(28)26-20)17-9-11-27(12-10-17)25(29)23-4-3-13-32-23/h3-9,13-16H,10-12H2,1-2H3.
What are the key properties of [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone?
[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 445.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 155531327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).