1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C21H18N4OS — CID 161034340

IUPAC1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(-c3cnccc3C3CC3)cn3ccnc23)n1
InChIInChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)9-19(26)17-8-15(11-25-7-6-23-21(17)25)18-10-22-5-4-16(18)14-2-3-14/h4-8,10-12,14H,2-3,9H2,1H3
InChIKeyGWIBGQVUJMFLEP-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.46
Rot. Bonds5

About 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 161034340) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID161034340
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(-c3cnccc3C3CC3)cn3ccnc23)n1
InChIInChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)9-19(26)17-8-15(11-25-7-6-23-21(17)25)18-10-22-5-4-16(18)14-2-3-14/h4-8,10-12,14H,2-3,9H2,1H3
InChIKeyGWIBGQVUJMFLEP-UHFFFAOYSA-N
XLogP4.46
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-1-(6-pyridazin-4-ylimidazo[1,2-a]pyridin-8-yl)ethanone
CID 160547995
1-[6-(3-methylphenyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158000545
1-[6-(4-ethyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158772673
2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-4-ylethanone
CID 112731545
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
2-(4-methyl-1,3-thiazol-2-yl)-1-(1-propylimidazol-2-yl)ethanone
CID 63975439
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685745
1-(2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 728377
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanone
CID 115789182
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 161034340) is 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2cc(-c3cnccc3C3CC3)cn3ccnc23)n1.
What is the InChIKey of 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is GWIBGQVUJMFLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-13-12-27-20(24-13)9-19(26)17-8-15(11-25-7-6-23-21(17)25)18-10-22-5-4-16(18)14-2-3-14/h4-8,10-12,14H,2-3,9H2,1H3.
What are the key properties of 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 374.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-cyclopropyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 161034340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).