1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone

C19H16N4OS — CID 143017591

IUPAC1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2[nH]nc3c(C)cc(C)cc23)sc1-c1cccnc1
InChIInChI=1S/C19H16N4OS/c1-10-7-11(2)15-14(8-10)17(23-22-15)19-21-16(12(3)24)18(25-19)13-5-4-6-20-9-13/h4-9H,1-3H3,(H,22,23)
InChIKeyXQXVRLWMEXGWFP-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.57
Rot. Bonds3

About 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone

1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone (PubChem CID 143017591) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone
PubChem CID143017591
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(-c2[nH]nc3c(C)cc(C)cc23)sc1-c1cccnc1
InChIInChI=1S/C19H16N4OS/c1-10-7-11(2)15-14(8-10)17(23-22-15)19-21-16(12(3)24)18(25-19)13-5-4-6-20-9-13/h4-9H,1-3H3,(H,22,23)
InChIKeyXQXVRLWMEXGWFP-UHFFFAOYSA-N
XLogP4.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
CID 22259253
[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 22259160
2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole
CID 143017487
N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine
CID 143017492
methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 23590807
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpyrrolidin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23590827
[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 22259239
2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
CID 143017598
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
CID 23590755
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 22259204
2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
CID 22259210
N-[4-(3,5-dimethylphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]acetamide
CID 22993732

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone (CID 143017591) is 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(-c2[nH]nc3c(C)cc(C)cc23)sc1-c1cccnc1.
What is the InChIKey of 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone?
The InChIKey is XQXVRLWMEXGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-10-7-11(2)15-14(8-10)17(23-22-15)19-21-16(12(3)24)18(25-19)13-5-4-6-20-9-13/h4-9H,1-3H3,(H,22,23).
What are the key properties of 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone?
1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone has a molecular weight of 348.43 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 143017591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).