2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol

C49H52Cl3N13O2 — CID 157307278

About 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol

2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol (PubChem CID 157307278) has the molecular formula C49H52Cl3N13O2 and a molecular weight of 961.40 g/mol. Its IUPAC name is 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol
• PubChem CID: 157307278
• Molecular Formula: C49H52Cl3N13O2
• Molecular Weight: 961.40 g/mol
• Exact Mass: 959.34
• IUPAC Name: 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol
• SMILES: COCCn1cc(-c2cnc3ccc(Cl)nc3c2)c(C)n1.Cc1nn(CCCN2CC(C)C2)cc1-c1cnc2ccc(Cl)nc2c1.Cc1nn(CCCO)cc1-c1cnc2ccc(Cl)nc2c1
• InChI: InChI=1S/C19H22ClN5.2C15H15ClN4O/c1-13-10-24(11-13)6-3-7-25-12-16(14(2)23-25)15-8-18-17(21-9-15)4-5-19(20)22-18;1-10-12(9-20(19-10)5-6-21-2)11-7-14-13(17-8-11)3-4-15(16)18-14;1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-4,7-9,21H,2,5-6H2,1H3
• InChIKey: BCQALTLSWIRSDZ-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 163.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	961.40
LogP ≤ 5	9.74
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 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol?

The IUPAC name of 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol (CID 157307278) is 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol.

What is the SMILES notation for 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol?

The canonical SMILES for 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol is COCCn1cc(-c2cnc3ccc(Cl)nc3c2)c(C)n1.Cc1nn(CCCN2CC(C)C2)cc1-c1cnc2ccc(Cl)nc2c1.Cc1nn(CCCO)cc1-c1cnc2ccc(Cl)nc2c1.

What is the InChIKey of 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol?

The InChIKey is BCQALTLSWIRSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5.2C15H15ClN4O/c1-13-10-24(11-13)6-3-7-25-12-16(14(2)23-25)15-8-18-17(21-9-15)4-5-19(20)22-18;1-10-12(9-20(19-10)5-6-21-2)11-7-14-13(17-8-11)3-4-15(16)18-14;1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-4,7-9,21H,2,5-6H2,1H3.

What are the key properties of 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol?

2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol has a molecular weight of 961.40 g/mol, XLogP of 9.74, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[3-methyl-1-[3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 157307278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).