1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one

C60H50F9N19O6S3 — CID 161449447

IUPAC1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cnc(-n2nccn2)c(C(F)(F)F)c1.CC(=O)c1c(CC(=O)Cc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.CC(=O)c1c(N)cnc2sc(C)nc12.Cc1nc2c(C(C)O)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C20H17F3N6O2S.C20H15F3N6O2S.C11H9F3N4O.C9H9N3OS/c2*1-10(30)16-13(9-25-19-17(16)28-11(2)32-19)7-14(31)5-12-6-15(20(21,22)23)18(24-8-12)29-26-3-4-27-29;1-7(19)4-8-5-9(11(12,13)14)10(15-6-8)18-16-2-3-17-18;1-4(13)7-6(10)3-11-9-8(7)12-5(2)14-9/h3-4,6,8-10,30H,5,7H2,1-2H3;3-4,6,8-9H,5,7H2,1-2H3;2-3,5-6H,4H2,1H3;3H,10H2,1-2H3
InChIKeyWAIIMSLAURAHCH-UHFFFAOYSA-N
MW1400.37 g/mol
LogP10.55
Rot. Bonds16

About 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one

1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 161449447) has the molecular formula C60H50F9N19O6S3 and a molecular weight of 1400.37 g/mol. Its IUPAC name is 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID161449447
Molecular FormulaC60H50F9N19O6S3
Molecular Weight1400.37 g/mol
Exact Mass1399.32
IUPAC Name1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cnc(-n2nccn2)c(C(F)(F)F)c1.CC(=O)c1c(CC(=O)Cc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.CC(=O)c1c(N)cnc2sc(C)nc12.Cc1nc2c(C(C)O)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C20H17F3N6O2S.C20H15F3N6O2S.C11H9F3N4O.C9H9N3OS/c2*1-10(30)16-13(9-25-19-17(16)28-11(2)32-19)7-14(31)5-12-6-15(20(21,22)23)18(24-8-12)29-26-3-4-27-29;1-7(19)4-8-5-9(11(12,13)14)10(15-6-8)18-16-2-3-17-18;1-4(13)7-6(10)3-11-9-8(7)12-5(2)14-9/h3-4,6,8-10,30H,5,7H2,1-2H3;3-4,6,8-9H,5,7H2,1-2H3;2-3,5-6H,4H2,1H3;3H,10H2,1-2H3
InChIKeyWAIIMSLAURAHCH-UHFFFAOYSA-N
XLogP10.55
TPSA339.74 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.37
LogP ≤ 510.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[7-(1-Fluoroethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 160405934
tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
CID 161207182
[[butyl(hydroxy)phosphanyl]-deuteriophosphanyl]astatine;tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine;2,2,2-trifluoroacetaldehyde
CID 161302500

Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 161449447) is 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one is CC(=O)Cc1cnc(-n2nccn2)c(C(F)(F)F)c1.CC(=O)c1c(CC(=O)Cc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.CC(=O)c1c(N)cnc2sc(C)nc12.Cc1nc2c(C(C)O)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1.
What is the InChIKey of 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is WAIIMSLAURAHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2S.C20H15F3N6O2S.C11H9F3N4O.C9H9N3OS/c2*1-10(30)16-13(9-25-19-17(16)28-11(2)32-19)7-14(31)5-12-6-15(20(21,22)23)18(24-8-12)29-26-3-4-27-29;1-7(19)4-8-5-9(11(12,13)14)10(15-6-8)18-16-2-3-17-18;1-4(13)7-6(10)3-11-9-8(7)12-5(2)14-9/h3-4,6,8-10,30H,5,7H2,1-2H3;3-4,6,8-9H,5,7H2,1-2H3;2-3,5-6H,4H2,1H3;3H,10H2,1-2H3.
What are the key properties of 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 1400.37 g/mol, XLogP of 10.55, 16 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 161449447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).