cyclobutanecarbonitrile;5-fluoro-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

C33H38FN7O3 — CID 176923459

About cyclobutanecarbonitrile;5-fluoro-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

cyclobutanecarbonitrile;5-fluoro-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 176923459) has the molecular formula C33H38FN7O3 and a molecular weight of 599.71 g/mol. Its IUPAC name is cyclobutanecarbonitrile;5-fluoro-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: cyclobutanecarbonitrile;5-fluoro-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: 176923459
• Molecular Formula: C33H38FN7O3
• Molecular Weight: 599.71 g/mol
• Exact Mass: 599.30
• IUPAC Name: cyclobutanecarbonitrile;5-fluoro-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)NC(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1.N#CC1CCC1
• InChI: InChI=1S/C28H31FN6O3.C5H7N/c1-17(2)34-27(36)20-9-18(29)3-4-23(20)38-25-13-31-16-33-26(25)35-14-28(15-35)10-19(11-28)37-24-6-8-32-22-5-7-30-12-21(22)24;6-4-5-2-1-3-5/h3-4,6,8-9,13,16-17,19,30H,5,7,10-12,14-15H2,1-2H3,(H,34,36);5H,1-3H2
• InChIKey: ZFYOWLXNWHLZJO-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 125.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.71
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cyclobutanecarbonitrile;5-fluoro-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 cyclobutanecarbonitrile;5-fluoro-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 176923459) is cyclobutanecarbonitrile;5-fluoro-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 cyclobutanecarbonitrile;5-fluoro-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 cyclobutanecarbonitrile;5-fluoro-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)NC(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CNCC4)C2)C1.N#CC1CCC1.

What is the InChIKey of cyclobutanecarbonitrile;5-fluoro-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 ZFYOWLXNWHLZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3.C5H7N/c1-17(2)34-27(36)20-9-18(29)3-4-23(20)38-25-13-31-16-33-26(25)35-14-28(15-35)10-19(11-28)37-24-6-8-32-22-5-7-30-12-21(22)24;6-4-5-2-1-3-5/h3-4,6,8-9,13,16-17,19,30H,5,7,10-12,14-15H2,1-2H3,(H,34,36);5H,1-3H2.

What are the key properties of cyclobutanecarbonitrile;5-fluoro-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?

cyclobutanecarbonitrile;5-fluoro-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 599.71 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutanecarbonitrile;5-fluoro-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 176923459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).