[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane

C67H61N15O6 — CID 159888741

About [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane (PubChem CID 159888741) has the molecular formula C67H61N15O6 and a molecular weight of 1172.32 g/mol. Its IUPAC name is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane.

Molecular Properties

• Compound Name: [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane
• PubChem CID: 159888741
• Molecular Formula: C67H61N15O6
• Molecular Weight: 1172.32 g/mol
• Exact Mass: 1171.49
• IUPAC Name: [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane
• SMILES: C.Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(Cc3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C18H16N4O2.C18H14N4O2.C18H16N4O.C12H11N3O.CH4/c2*1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12;1-11-17(12(2)23-22-11)15-7-16-14(9-20-18(16)21-10-15)6-13-4-3-5-19-8-13;1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10;/h3-9,17,23H,1-2H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-5,7-10H,6H2,1-2H3,(H,20,21);3-6H,1-2H3,(H,13,14);1H4
• InChIKey: NULYDCLHXIREDQ-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 294.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1172.32
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane?

The IUPAC name of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane (CID 159888741) is [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane.

What is the SMILES notation for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane?

The canonical SMILES for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane is C.Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(C(O)c3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]cc(Cc3cccnc3)c2c1.Cc1noc(C)c1-c1cnc2[nH]ccc2c1.

What is the InChIKey of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane?

The InChIKey is NULYDCLHXIREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C18H14N4O2.C18H16N4O.C12H11N3O.CH4/c2*1-10-16(11(2)24-22-10)13-6-14-15(9-21-18(14)20-8-13)17(23)12-4-3-5-19-7-12;1-11-17(12(2)23-22-11)15-7-16-14(9-20-18(16)21-10-15)6-13-4-3-5-19-8-13;1-7-11(8(2)16-15-7)10-5-9-3-4-13-12(9)14-6-10;/h3-9,17,23H,1-2H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-5,7-10H,6H2,1-2H3,(H,20,21);3-6H,1-2H3,(H,13,14);1H4.

What are the key properties of [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane?

[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane has a molecular weight of 1172.32 g/mol, XLogP of 14.06, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanol;[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone;3,5-dimethyl-4-[3-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;methane is sourced from PubChem (CID 159888741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).