5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide

C31H35FN6O4 — CID 176923472

About 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide

5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide (PubChem CID 176923472) has the molecular formula C31H35FN6O4 and a molecular weight of 574.66 g/mol. Its IUPAC name is 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide.

Molecular Properties

• Compound Name: 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
• PubChem CID: 176923472
• Molecular Formula: C31H35FN6O4
• Molecular Weight: 574.66 g/mol
• Exact Mass: 574.27
• IUPAC Name: 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
• SMILES: CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1)C1COC1
• InChI: InChI=1S/C31H35FN6O4/c1-19(2)38(21-14-40-15-21)30(39)23-9-20(32)3-4-26(23)42-28-13-34-18-36-29(28)37-16-31(17-37)10-22(11-31)41-27-6-8-35-25-5-7-33-12-24(25)27/h3-4,6,8-9,13,18-19,21-22,33H,5,7,10-12,14-17H2,1-2H3
• InChIKey: XZNGZXNYALPFLH-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 101.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.66
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

The IUPAC name of 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide (CID 176923472) is 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide.

What is the SMILES notation for 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

The canonical SMILES for 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide is CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1)C1COC1.

What is the InChIKey of 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

The InChIKey is XZNGZXNYALPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN6O4/c1-19(2)38(21-14-40-15-21)30(39)23-9-20(32)3-4-26(23)42-28-13-34-18-36-29(28)37-16-31(17-37)10-22(11-31)41-27-6-8-35-25-5-7-33-12-24(25)27/h3-4,6,8-9,13,18-19,21-22,33H,5,7,10-12,14-17H2,1-2H3.

What are the key properties of 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide?

5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide has a molecular weight of 574.66 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-(oxetan-3-yl)-N-propan-2-yl-2-[4-[6-(5,6,7,8-tetrahydro-1,6-naphthyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide is sourced from PubChem (CID 176923472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).