2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide

C22H28FN5O2 — CID 25003643

About 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide

2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 25003643) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

• Compound Name: 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide
• PubChem CID: 25003643
• Molecular Formula: C22H28FN5O2
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.22
• IUPAC Name: 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide
• SMILES: O=C(NCCN1CCCCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
• InChI: InChI=1S/C22H28FN5O2/c23-18-7-6-15(14-19-20-16(5-4-8-24-20)22(30)27-26-19)13-17(18)21(29)25-9-12-28-10-2-1-3-11-28/h6-7,13,24H,1-5,8-12,14H2,(H,25,29)(H,27,30)
• InChIKey: NWUZLWBDAIOLDC-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide?

The IUPAC name of 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide (CID 25003643) is 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide.

What is the SMILES notation for 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide?

The canonical SMILES for 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.

What is the InChIKey of 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide?

The InChIKey is NWUZLWBDAIOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c23-18-7-6-15(14-19-20-16(5-4-8-24-20)22(30)27-26-19)13-17(18)21(29)25-9-12-28-10-2-1-3-11-28/h6-7,13,24H,1-5,8-12,14H2,(H,25,29)(H,27,30).

What are the key properties of 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide?

2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 25003643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).