4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C21H19FN6O3S — CID 170550566

About 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 170550566) has the molecular formula C21H19FN6O3S and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 170550566
• Molecular Formula: C21H19FN6O3S
• Molecular Weight: 454.49 g/mol
• Exact Mass: 454.12
• IUPAC Name: 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
• SMILES: COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccn(C)n2)s1
• InChI: InChI=1S/C21H19FN6O3S/c1-12-9-14(18-16(22)5-4-6-17(18)30-3)15(10-23-12)19(29)24-20-25-26-21(32-20)31-11-13-7-8-28(2)27-13/h4-10H,11H2,1-3H3,(H,24,25,29)
• InChIKey: CVPPVTAJTUYOSS-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.49
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 170550566) is 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccn(C)n2)s1.

What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is CVPPVTAJTUYOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3S/c1-12-9-14(18-16(22)5-4-6-17(18)30-3)15(10-23-12)19(29)24-20-25-26-21(32-20)31-11-13-7-8-28(2)27-13/h4-10H,11H2,1-3H3,(H,24,25,29).

What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?

4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluoro-6-methoxyphenyl)-6-methyl-N-[5-[(1-methylpyrazol-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 170550566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).