1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone

C25H20ClN5OS — CID 58163773

IUPAC1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1CC(=O)c1cccc(Nc2ncc(-c3c(C)nc4c(Cl)cccn34)s2)c1
InChIInChI=1S/C25H20ClN5OS/c1-15-17(7-4-10-27-15)13-21(32)18-6-3-8-19(12-18)30-25-28-14-22(33-25)23-16(2)29-24-20(26)9-5-11-31(23)24/h3-12,14H,13H2,1-2H3,(H,28,30)
InChIKeyODKOJJOVPCUNPD-UHFFFAOYSA-N
MW473.99 g/mol
LogP6.29
Rot. Bonds6

About 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone

1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone (PubChem CID 58163773) has the molecular formula C25H20ClN5OS and a molecular weight of 473.99 g/mol. Its IUPAC name is 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
PubChem CID58163773
Molecular FormulaC25H20ClN5OS
Molecular Weight473.99 g/mol
Exact Mass473.11
IUPAC Name1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1CC(=O)c1cccc(Nc2ncc(-c3c(C)nc4c(Cl)cccn34)s2)c1
InChIInChI=1S/C25H20ClN5OS/c1-15-17(7-4-10-27-15)13-21(32)18-6-3-8-19(12-18)30-25-28-14-22(33-25)23-16(2)29-24-20(26)9-5-11-31(23)24/h3-12,14H,13H2,1-2H3,(H,28,30)
InChIKeyODKOJJOVPCUNPD-UHFFFAOYSA-N
XLogP6.29
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone with MolForge

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Related Compounds

3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
2-chloro-N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886310
N-(3-chloro-5-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030534
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283136
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283148
2-chloro-N-(3-(5-(pyridin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886245
3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 127042532
N-[3-[5-[2-(2-chloroanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 49830418
1-(3-{[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 1239383
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 77105443
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283708
2-(2-chloroimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683831

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone (CID 58163773) is 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone is Cc1ncccc1CC(=O)c1cccc(Nc2ncc(-c3c(C)nc4c(Cl)cccn34)s2)c1.
What is the InChIKey of 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is ODKOJJOVPCUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5OS/c1-15-17(7-4-10-27-15)13-21(32)18-6-3-8-19(12-18)30-25-28-14-22(33-25)23-16(2)29-24-20(26)9-5-11-31(23)24/h3-12,14H,13H2,1-2H3,(H,28,30).
What are the key properties of 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone?
1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 473.99 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 58163773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).