(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

C26H31FN6O2S — CID 166585488

About (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166585488) has the molecular formula C26H31FN6O2S and a molecular weight of 510.64 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.

Molecular Properties

• Compound Name: (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
• PubChem CID: 166585488
• Molecular Formula: C26H31FN6O2S
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.22
• IUPAC Name: (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
• SMILES: COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C(C)C)ns5)c(C)nc4N3)C2)c(F)cn1
• InChI: InChI=1S/C26H31FN6O2S/c1-14(2)22-30-24(36-32-22)19-10-17-6-7-26(31-23(17)29-16(19)4)8-9-33(13-26)25(34)15(3)18-11-21(35-5)28-12-20(18)27/h10-12,14-15H,6-9,13H2,1-5H3,(H,29,31)/t15-,26+/m1/s1
• InChIKey: CLORSOYCTXISPY-WZQKQDCOSA-N
• XLogP: 4.71
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?

The IUPAC name of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166585488) is (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.

What is the SMILES notation for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?

The canonical SMILES for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5nc(C(C)C)ns5)c(C)nc4N3)C2)c(F)cn1.

What is the InChIKey of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?

The InChIKey is CLORSOYCTXISPY-WZQKQDCOSA-N. The full InChI is InChI=1S/C26H31FN6O2S/c1-14(2)22-30-24(36-32-22)19-10-17-6-7-26(31-23(17)29-16(19)4)8-9-33(13-26)25(34)15(3)18-11-21(35-5)28-12-20(18)27/h10-12,14-15H,6-9,13H2,1-5H3,(H,29,31)/t15-,26+/m1/s1.

What are the key properties of (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?

(2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 510.64 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(5-fluoro-2-methoxy-4-pyridinyl)-1-[(2S)-7-methyl-6-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)spiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166585488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).