1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one

C56H64BrCl2N13O6 — CID 167621558

About 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 167621558) has the molecular formula C56H64BrCl2N13O6 and a molecular weight of 1166.02 g/mol. Its IUPAC name is 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
• PubChem CID: 167621558
• Molecular Formula: C56H64BrCl2N13O6
• Molecular Weight: 1166.02 g/mol
• Exact Mass: 1163.37
• IUPAC Name: 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
• SMILES: CC(=O)Cc1cc(Oc2ccc3[nH]c(Br)nc3c2Cl)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5CC6(COC6)C5)n4)n(C)c3c2Cl)ccn1.CC(C)(C)c1cc(N)nn1C1CC2(COC2)C1
• InChI: InChI=1S/C28H32ClN7O3.C15H11BrClN3O2.C13H21N3O/c1-16(37)8-17-9-19(6-7-30-17)39-20-13-31-25-24(23(20)29)35(5)26(33-25)32-22-10-21(27(2,3)4)36(34-22)18-11-28(12-18)14-38-15-28;1-8(21)6-9-7-10(4-5-18-9)22-12-3-2-11-14(13(12)17)20-15(16)19-11;1-12(2,3)10-4-11(14)15-16(10)9-5-13(6-9)7-17-8-13/h6-7,9-10,13,18H,8,11-12,14-15H2,1-5H3,(H,31,32,33,34);2-5,7H,6H2,1H3,(H,19,20);4,9H,5-8H2,1-3H3,(H2,14,15)
• InChIKey: MMXZZHPEMFOIIY-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 229.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.02
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

The IUPAC name of 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (CID 167621558) is 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.

What is the SMILES notation for 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

The canonical SMILES for 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2ccc3[nH]c(Br)nc3c2Cl)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5CC6(COC6)C5)n4)n(C)c3c2Cl)ccn1.CC(C)(C)c1cc(N)nn1C1CC2(COC2)C1.

What is the InChIKey of 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

The InChIKey is MMXZZHPEMFOIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN7O3.C15H11BrClN3O2.C13H21N3O/c1-16(37)8-17-9-19(6-7-30-17)39-20-13-31-25-24(23(20)29)35(5)26(33-25)32-22-10-21(27(2,3)4)36(34-22)18-11-28(12-18)14-38-15-28;1-8(21)6-9-7-10(4-5-18-9)22-12-3-2-11-14(13(12)17)20-15(16)19-11;1-12(2,3)10-4-11(14)15-16(10)9-5-13(6-9)7-17-8-13/h6-7,9-10,13,18H,8,11-12,14-15H2,1-5H3,(H,31,32,33,34);2-5,7H,6H2,1H3,(H,19,20);4,9H,5-8H2,1-3H3,(H2,14,15).

What are the key properties of 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?

1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 1166.02 g/mol, XLogP of 11.94, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2-bromo-4-chloro-1H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-2-one;5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-amine;1-[4-[2-[[5-tert-butyl-1-(2-oxaspiro[3.3]heptan-6-yl)pyrazol-3-yl]amino]-7-chloro-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167621558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).