3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide

C32H35FN6O2 — CID 59553272

About 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide

3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide (PubChem CID 59553272) has the molecular formula C32H35FN6O2 and a molecular weight of 554.67 g/mol. Its IUPAC name is 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
• PubChem CID: 59553272
• Molecular Formula: C32H35FN6O2
• Molecular Weight: 554.67 g/mol
• Exact Mass: 554.28
• IUPAC Name: 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
• SMILES: O=C(Nc1ccc(Oc2ccnc(NCCN3CCCC3)n2)c2ccccc12)c1cc(F)cc(N2CCCCC2)c1
• InChI: InChI=1S/C32H35FN6O2/c33-24-20-23(21-25(22-24)39-17-4-1-5-18-39)31(40)36-28-10-11-29(27-9-3-2-8-26(27)28)41-30-12-13-34-32(37-30)35-14-19-38-15-6-7-16-38/h2-3,8-13,20-22H,1,4-7,14-19H2,(H,36,40)(H,34,35,37)
• InChIKey: VMDMOANBKOBYSS-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.67
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?

The IUPAC name of 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide (CID 59553272) is 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide.

What is the SMILES notation for 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?

The canonical SMILES for 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide is O=C(Nc1ccc(Oc2ccnc(NCCN3CCCC3)n2)c2ccccc12)c1cc(F)cc(N2CCCCC2)c1.

What is the InChIKey of 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?

The InChIKey is VMDMOANBKOBYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O2/c33-24-20-23(21-25(22-24)39-17-4-1-5-18-39)31(40)36-28-10-11-29(27-9-3-2-8-26(27)28)41-30-12-13-34-32(37-30)35-14-19-38-15-6-7-16-38/h2-3,8-13,20-22H,1,4-7,14-19H2,(H,36,40)(H,34,35,37).

What are the key properties of 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?

3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide has a molecular weight of 554.67 g/mol, XLogP of 6.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-piperidin-1-yl-N-[4-[2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide is sourced from PubChem (CID 59553272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).