1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone

C26H33N7O2S — CID 166770011

About 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone

1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone (PubChem CID 166770011) has the molecular formula C26H33N7O2S and a molecular weight of 507.66 g/mol. Its IUPAC name is 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone
• PubChem CID: 166770011
• Molecular Formula: C26H33N7O2S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.24
• IUPAC Name: 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone
• SMILES: O=C(CN1CCCCC1)N1C2CCC1CC(Nc1nc(Nc3ncc(CO)s3)cc3ncccc13)C2
• InChI: InChI=1S/C26H33N7O2S/c34-16-20-14-28-26(36-20)31-23-13-22-21(5-4-8-27-22)25(30-23)29-17-11-18-6-7-19(12-17)33(18)24(35)15-32-9-2-1-3-10-32/h4-5,8,13-14,17-19,34H,1-3,6-7,9-12,15-16H2,(H2,28,29,30,31)
• InChIKey: IQGBYMGJOQWZPE-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 106.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone?

The IUPAC name of 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone (CID 166770011) is 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone.

What is the SMILES notation for 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone?

The canonical SMILES for 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1C2CCC1CC(Nc1nc(Nc3ncc(CO)s3)cc3ncccc13)C2.

What is the InChIKey of 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone?

The InChIKey is IQGBYMGJOQWZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2S/c34-16-20-14-28-26(36-20)31-23-13-22-21(5-4-8-27-22)25(30-23)29-17-11-18-6-7-19(12-17)33(18)24(35)15-32-9-2-1-3-10-32/h4-5,8,13-14,17-19,34H,1-3,6-7,9-12,15-16H2,(H2,28,29,30,31).

What are the key properties of 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone?

1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone has a molecular weight of 507.66 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 166770011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).