N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine

C26H29F3N8O — CID 90289119

About N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine

N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine (PubChem CID 90289119) has the molecular formula C26H29F3N8O and a molecular weight of 526.57 g/mol. Its IUPAC name is N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
• PubChem CID: 90289119
• Molecular Formula: C26H29F3N8O
• Molecular Weight: 526.57 g/mol
• Exact Mass: 526.24
• IUPAC Name: N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCC(F)(F)F)C5)c4)cc3n2)c1
• InChI: InChI=1S/C26H29F3N8O/c1-17(2)18-9-25(35-31-11-18)34-24-5-4-22-23(33-24)8-19(10-30-22)20-12-32-37(13-20)7-3-6-36-14-21(15-36)38-16-26(27,28)29/h4-5,8-13,17,21H,3,6-7,14-16H2,1-2H3,(H,33,34,35)
• InChIKey: LBNOSHLBQIPVQH-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.57
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?

The IUPAC name of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine (CID 90289119) is N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine.

What is the SMILES notation for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?

The canonical SMILES for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCCN5CC(OCC(F)(F)F)C5)c4)cc3n2)c1.

What is the InChIKey of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?

The InChIKey is LBNOSHLBQIPVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N8O/c1-17(2)18-9-25(35-31-11-18)34-24-5-4-22-23(33-24)8-19(10-30-22)20-12-32-37(13-20)7-3-6-36-14-21(15-36)38-16-26(27,28)29/h4-5,8-13,17,21H,3,6-7,14-16H2,1-2H3,(H,33,34,35).

What are the key properties of N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine?

N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine has a molecular weight of 526.57 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).