7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate

C51H60N16O4 — CID 157285354

About 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate

7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate (PubChem CID 157285354) has the molecular formula C51H60N16O4 and a molecular weight of 961.15 g/mol. Its IUPAC name is 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate
• PubChem CID: 157285354
• Molecular Formula: C51H60N16O4
• Molecular Weight: 961.15 g/mol
• Exact Mass: 960.50
• IUPAC Name: 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CN(C(=O)OC(C)(C)C)C5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CNC5)c4)cc3n2)c1
• InChI: InChI=1S/C28H34N8O3.C23H26N8O/c1-18(2)19-11-26(34-30-13-19)33-25-7-6-23-24(32-25)10-20(12-29-23)21-14-31-36(15-21)8-9-38-22-16-35(17-22)27(37)39-28(3,4)5;1-15(2)16-8-23(30-26-10-16)29-22-4-3-20-21(28-22)7-17(9-25-20)18-11-27-31(14-18)5-6-32-19-12-24-13-19/h6-7,10-15,18,22H,8-9,16-17H2,1-5H3,(H,32,33,34);3-4,7-11,14-15,19,24H,5-6,12-13H2,1-2H3,(H,28,29,30)
• InChIKey: BADZFSKWZZENJZ-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 222.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	961.15
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate?

The IUPAC name of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate (CID 157285354) is 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate.

What is the SMILES notation for 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate?

The canonical SMILES for 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CN(C(=O)OC(C)(C)C)C5)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CCOC5CNC5)c4)cc3n2)c1.

What is the InChIKey of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate?

The InChIKey is BADZFSKWZZENJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O3.C23H26N8O/c1-18(2)19-11-26(34-30-13-19)33-25-7-6-23-24(32-25)10-20(12-29-23)21-14-31-36(15-21)8-9-38-22-16-35(17-22)27(37)39-28(3,4)5;1-15(2)16-8-23(30-26-10-16)29-22-4-3-20-21(28-22)7-17(9-25-20)18-11-27-31(14-18)5-6-32-19-12-24-13-19/h6-7,10-15,18,22H,8-9,16-17H2,1-5H3,(H,32,33,34);3-4,7-11,14-15,19,24H,5-6,12-13H2,1-2H3,(H,28,29,30).

What are the key properties of 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate?

7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate has a molecular weight of 961.15 g/mol, XLogP of 7.92, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[2-(azetidin-3-yloxy)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;tert-butyl 3-[2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethoxy]azetidine-1-carboxylate is sourced from PubChem (CID 157285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).