1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one

C21H19ClF3N7OS — CID 146696819

About 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one (PubChem CID 146696819) has the molecular formula C21H19ClF3N7OS and a molecular weight of 509.95 g/mol. Its IUPAC name is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
• PubChem CID: 146696819
• Molecular Formula: C21H19ClF3N7OS
• Molecular Weight: 509.95 g/mol
• Exact Mass: 509.10
• IUPAC Name: 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
• SMILES: Cc1nc2c(C(N(C)C)C(F)(F)F)c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc2s1
• InChI: InChI=1S/C21H19ClF3N7OS/c1-11-30-17-16(18(31(2)3)21(23,24)25)13(10-27-20(17)34-11)8-14(33)6-12-7-15(22)19(26-9-12)32-28-4-5-29-32/h4-5,7,9-10,18H,6,8H2,1-3H3
• InChIKey: QPLPGOCCAZIVOA-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 89.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.95
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

The IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one (CID 146696819) is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one.

What is the SMILES notation for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

The canonical SMILES for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one is Cc1nc2c(C(N(C)C)C(F)(F)F)c(CC(=O)Cc3cnc(-n4nccn4)c(Cl)c3)cnc2s1.

What is the InChIKey of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

The InChIKey is QPLPGOCCAZIVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N7OS/c1-11-30-17-16(18(31(2)3)21(23,24)25)13(10-27-20(17)34-11)8-14(33)6-12-7-15(22)19(26-9-12)32-28-4-5-29-32/h4-5,7,9-10,18H,6,8H2,1-3H3.

What are the key properties of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one?

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one has a molecular weight of 509.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one is sourced from PubChem (CID 146696819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).