5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine

C25H27FN8O2S — CID 146259504

About 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine

5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine (PubChem CID 146259504) has the molecular formula C25H27FN8O2S and a molecular weight of 522.61 g/mol. Its IUPAC name is 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine
• PubChem CID: 146259504
• Molecular Formula: C25H27FN8O2S
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.20
• IUPAC Name: 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine
• SMILES: Cc1cc(Nc2cc3ncccc3c(NC3C[C@@H]4CCC[C@@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1
• InChI: InChI=1S/C25H27FN8O2S/c1-15-8-24(33-32-15)30-23-12-22-21(6-3-7-28-22)25(31-23)29-17-10-18-4-2-5-19(11-17)34(18)37(35,36)20-9-16(26)13-27-14-20/h3,6-9,12-14,17-19H,2,4-5,10-11H2,1H3,(H3,29,30,31,32,33)/t18-,19-/m0/s1
• InChIKey: WUICWJBMUAVINV-OALUTQOASA-N
• XLogP: 4.13
• TPSA: 128.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine?

The IUPAC name of 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine (CID 146259504) is 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine.

What is the SMILES notation for 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine?

The canonical SMILES for 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine is Cc1cc(Nc2cc3ncccc3c(NC3C[C@@H]4CCC[C@@H](C3)N4S(=O)(=O)c3cncc(F)c3)n2)n[nH]1.

What is the InChIKey of 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine?

The InChIKey is WUICWJBMUAVINV-OALUTQOASA-N. The full InChI is InChI=1S/C25H27FN8O2S/c1-15-8-24(33-32-15)30-23-12-22-21(6-3-7-28-22)25(31-23)29-17-10-18-4-2-5-19(11-17)34(18)37(35,36)20-9-16(26)13-27-14-20/h3,6-9,12-14,17-19H,2,4-5,10-11H2,1H3,(H3,29,30,31,32,33)/t18-,19-/m0/s1.

What are the key properties of 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine?

5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine has a molecular weight of 522.61 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(1S,5S)-9-[(5-fluoro-3-pyridinyl)sulfonyl]-9-azabicyclo[3.3.1]nonan-3-yl]-7-N-(5-methyl-1H-pyrazol-3-yl)-1,6-naphthyridine-5,7-diamine is sourced from PubChem (CID 146259504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).