2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

C₃₅H₃₅F₁₀N₅O₃S₂ — CID 158534383

About 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 158534383) has the molecular formula C₃₅H₃₅F₁₀N₅O₃S₂ and a molecular weight of 827.81 g/mol. Its IUPAC name is 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

• Compound Name: 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
• PubChem CID: 158534383
• Molecular Formula: C₃₅H₃₅F₁₀N₅O₃S₂
• Molecular Weight: 827.81 g/mol
• Exact Mass: 827.20
• IUPAC Name: 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
• SMILES: Cc1ccn2c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1
• InChI: InChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS/c1-12-9-10-25-17(11-12)24-13(2)18(25)16(26)8-5-14-3-6-15(7-4-14)27(19,20,21,22)23;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-7,9-11H,5,8H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2
• InChIKey: HNTNXCNLUBBSRJ-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 114.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.81
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The IUPAC name of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 158534383) is 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

What is the SMILES notation for 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The canonical SMILES for 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is Cc1ccn2c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1.

What is the InChIKey of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The InChIKey is HNTNXCNLUBBSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS/c1-12-9-10-25-17(11-12)24-13(2)18(25)16(26)8-5-14-3-6-15(7-4-14)27(19,20,21,22)23;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h3-4,6-7,9-11H,5,8H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2.

What are the key properties of 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine has a molecular weight of 827.81 g/mol, XLogP of 11.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is sourced from PubChem (CID 158534383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158534383 — identifiers, structure, computed properties (public domain)

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