8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C20H20F4N4O4S — CID 166315695

IUPAC8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCc1cn2cc(C(=O)NCC3NCCc4sccc43)cc(F)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19FN4O2S.C2HF3O2/c1-25-10-12-9-23-8-11(6-14(19)17(23)22-12)18(24)21-7-15-13-3-5-26-16(13)2-4-20-15;3-2(4,5)1(6)7/h3,5-6,8-9,15,20H,2,4,7,10H2,1H3,(H,21,24);(H,6,7)
InChIKeyGYOKTMAAZOWGNF-UHFFFAOYSA-N
MW488.46 g/mol
LogP2.93
Rot. Bonds5

About 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166315695) has the molecular formula C20H20F4N4O4S and a molecular weight of 488.46 g/mol. Its IUPAC name is 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166315695
Molecular FormulaC20H20F4N4O4S
Molecular Weight488.46 g/mol
Exact Mass488.11
IUPAC Name8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCc1cn2cc(C(=O)NCC3NCCc4sccc43)cc(F)c2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H19FN4O2S.C2HF3O2/c1-25-10-12-9-23-8-11(6-14(19)17(23)22-12)18(24)21-7-15-13-3-5-26-16(13)2-4-20-15;3-2(4,5)1(6)7/h3,5-6,8-9,15,20H,2,4,7,10H2,1H3,(H,21,24);(H,6,7)
InChIKeyGYOKTMAAZOWGNF-UHFFFAOYSA-N
XLogP2.93
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 166315695) is 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is COCc1cn2cc(C(=O)NCC3NCCc4sccc43)cc(F)c2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GYOKTMAAZOWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S.C2HF3O2/c1-25-10-12-9-23-8-11(6-14(19)17(23)22-12)18(24)21-7-15-13-3-5-26-16(13)2-4-20-15;3-2(4,5)1(6)7/h3,5-6,8-9,15,20H,2,4,7,10H2,1H3,(H,21,24);(H,6,7).
What are the key properties of 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 488.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(methoxymethyl)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166315695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).