2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C25H25FN6OS — CID 167037217

About 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 167037217) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• PubChem CID: 167037217
• Molecular Formula: C25H25FN6OS
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.18
• IUPAC Name: 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• SMILES: Cc1ncsc1N1CCc2c(nc(N3CCC4(CNC4)C3)c(C#N)c2-c2cccc(O)c2F)C1
• InChI: InChI=1S/C25H25FN6OS/c1-15-24(34-14-29-15)31-7-5-16-19(10-31)30-23(32-8-6-25(13-32)11-28-12-25)18(9-27)21(16)17-3-2-4-20(33)22(17)26/h2-4,14,28,33H,5-8,10-13H2,1H3
• InChIKey: BLGGLNHVPLFBHR-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 88.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The IUPAC name of 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 167037217) is 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

What is the SMILES notation for 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The canonical SMILES for 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is Cc1ncsc1N1CCc2c(nc(N3CCC4(CNC4)C3)c(C#N)c2-c2cccc(O)c2F)C1.

What is the InChIKey of 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The InChIKey is BLGGLNHVPLFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6OS/c1-15-24(34-14-29-15)31-7-5-16-19(10-31)30-23(32-8-6-25(13-32)11-28-12-25)18(9-27)21(16)17-3-2-4-20(33)22(17)26/h2-4,14,28,33H,5-8,10-13H2,1H3.

What are the key properties of 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 476.58 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diazaspiro[3.4]octan-6-yl)-4-(2-fluoro-3-hydroxyphenyl)-7-(4-methyl-1,3-thiazol-5-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 167037217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).