2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

C46H49ClN12O4 — CID 165090930

About 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol

2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (PubChem CID 165090930) has the molecular formula C46H49ClN12O4 and a molecular weight of 869.43 g/mol. Its IUPAC name is 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
• PubChem CID: 165090930
• Molecular Formula: C46H49ClN12O4
• Molecular Weight: 869.43 g/mol
• Exact Mass: 868.37
• IUPAC Name: 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
• SMILES: CC(C)(O)c1cc(N)ccn1.Cc1cccc(-n2nc(C)cc2Oc2ccnc(Cl)c2)n1.Cc1cccc(-n2nc(C)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)n1
• InChI: InChI=1S/C23H24N6O2.C15H13ClN4O.C8H12N2O/c1-15-6-5-7-21(26-15)29-22(12-16(2)28-29)31-18-9-11-25-20(14-18)27-17-8-10-24-19(13-17)23(3,4)30;1-10-4-3-5-14(18-10)20-15(8-11(2)19-20)21-12-6-7-17-13(16)9-12;1-8(2,11)7-5-6(9)3-4-10-7/h5-14,30H,1-4H3,(H,24,25,27);3-9H,1-2H3;3-5,11H,1-2H3,(H2,9,10)
• InChIKey: WROIUIPJKRHTBQ-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 209.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.43
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

The IUPAC name of 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol (CID 165090930) is 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol.

What is the SMILES notation for 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

The canonical SMILES for 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cc(N)ccn1.Cc1cccc(-n2nc(C)cc2Oc2ccnc(Cl)c2)n1.Cc1cccc(-n2nc(C)cc2Oc2ccnc(Nc3ccnc(C(C)(C)O)c3)c2)n1.

What is the InChIKey of 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

The InChIKey is WROIUIPJKRHTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.C15H13ClN4O.C8H12N2O/c1-15-6-5-7-21(26-15)29-22(12-16(2)28-29)31-18-9-11-25-20(14-18)27-17-8-10-24-19(13-17)23(3,4)30;1-10-4-3-5-14(18-10)20-15(8-11(2)19-20)21-12-6-7-17-13(16)9-12;1-8(2,11)7-5-6(9)3-4-10-7/h5-14,30H,1-4H3,(H,24,25,27);3-9H,1-2H3;3-5,11H,1-2H3,(H2,9,10).

What are the key properties of 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol?

2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol has a molecular weight of 869.43 g/mol, XLogP of 9.05, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-2-pyridinyl)propan-2-ol;2-chloro-4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxypyridine;2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 165090930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).