7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C29H32N8O — CID 118504246

About 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 118504246) has the molecular formula C29H32N8O and a molecular weight of 508.63 g/mol. Its IUPAC name is 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 118504246
• Molecular Formula: C29H32N8O
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.27
• IUPAC Name: 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4-c4ccc(OCCN(C)C)cc4)cc3n2)c1
• InChI: InChI=1S/C29H32N8O/c1-19(2)21-15-28(34-31-17-21)33-27-11-10-25-26(32-27)14-22(16-30-25)24-18-37(5)35-29(24)20-6-8-23(9-7-20)38-13-12-36(3)4/h6-11,14-19H,12-13H2,1-5H3,(H,32,33,34)
• InChIKey: IGHCKRMYLAQBLZ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 118504246) is 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4-c4ccc(OCCN(C)C)cc4)cc3n2)c1.

What is the InChIKey of 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is IGHCKRMYLAQBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O/c1-19(2)21-15-28(34-31-17-21)33-27-11-10-25-26(32-27)14-22(16-30-25)24-18-37(5)35-29(24)20-6-8-23(9-7-20)38-13-12-36(3)4/h6-11,14-19H,12-13H2,1-5H3,(H,32,33,34).

What are the key properties of 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 508.63 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118504246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).