4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C47H58ClN13O2 — CID 157311173

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 157311173) has the molecular formula C47H58ClN13O2 and a molecular weight of 872.52 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 157311173
• Molecular Formula: C47H58ClN13O2
• Molecular Weight: 872.52 g/mol
• Exact Mass: 871.45
• IUPAC Name: 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: CCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1.CCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
• InChI: InChI=1S/C27H34N8O.C20H24ClN5O/c1-4-23-22(18-35(33-23)9-5-8-34-10-12-36-13-11-34)21-14-25-24(28-16-21)6-7-26(30-25)31-27-15-20(19(2)3)17-29-32-27;1-2-17-16(15-12-19-18(22-13-15)4-5-20(21)23-19)14-26(24-17)7-3-6-25-8-10-27-11-9-25/h6-7,14-19H,4-5,8-13H2,1-3H3,(H,30,31,32);4-5,12-14H,2-3,6-11H2,1H3
• InChIKey: BDBCEUQPPWBZNS-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 149.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	872.52
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 157311173) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Cl)nc2c1.CCc1nn(CCCN2CCOCC2)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.

What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is BDBCEUQPPWBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O.C20H24ClN5O/c1-4-23-22(18-35(33-23)9-5-8-34-10-12-36-13-11-34)21-14-25-24(28-16-21)6-7-26(30-25)31-27-15-20(19(2)3)17-29-32-27;1-2-17-16(15-12-19-18(22-13-15)4-5-20(21)23-19)14-26(24-17)7-3-6-25-8-10-27-11-9-25/h6-7,14-19H,4-5,8-13H2,1-3H3,(H,30,31,32);4-5,12-14H,2-3,6-11H2,1H3.

What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 872.52 g/mol, XLogP of 7.87, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-ethylpyrazol-1-yl]propyl]morpholine;7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 157311173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).