1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine

C92H67ClF8N20O4 — CID 158867529

About 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine

1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 158867529) has the molecular formula C92H67ClF8N20O4 and a molecular weight of 1704.12 g/mol. Its IUPAC name is 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine
• PubChem CID: 158867529
• Molecular Formula: C92H67ClF8N20O4
• Molecular Weight: 1704.12 g/mol
• Exact Mass: 1702.52
• IUPAC Name: 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine
• SMILES: CN(C)Cc1cc(Cl)nc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.CN(C)Cc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.CN(C)c1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.Nc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1
• InChI: InChI=1S/C24H18ClF2N5O.C24H19F2N5O.C23H17F2N5O.C21H13F2N5O/c1-32(2)12-13-6-20(31-21(25)7-13)14-8-16-17(10-29-24(16)28-9-14)23-18(11-30-33-23)15-4-3-5-19(26)22(15)27;1-31(2)13-14-6-7-27-21(8-14)15-9-17-18(11-29-24(17)28-10-15)23-19(12-30-32-23)16-4-3-5-20(25)22(16)26;1-30(2)14-6-7-26-20(9-14)13-8-16-17(11-28-23(16)27-10-13)22-18(12-29-31-22)15-4-3-5-19(24)21(15)25;22-17-3-1-2-13(19(17)23)16-10-28-29-20(16)15-9-27-21-14(15)6-11(8-26-21)18-7-12(24)4-5-25-18/h3-11H,12H2,1-2H3,(H,28,29);3-12H,13H2,1-2H3,(H,28,29);3-12H,1-2H3,(H,27,28);1-10H,(H2,24,25)(H,26,27)
• InChIKey: JBKUGVQISBFXLF-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 306.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1704.12
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine (CID 158867529) is 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine is CN(C)Cc1cc(Cl)nc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.CN(C)Cc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.CN(C)c1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.Nc1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.

What is the InChIKey of 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine?

The InChIKey is JBKUGVQISBFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N5O.C24H19F2N5O.C23H17F2N5O.C21H13F2N5O/c1-32(2)12-13-6-20(31-21(25)7-13)14-8-16-17(10-29-24(16)28-9-14)23-18(11-30-33-23)15-4-3-5-19(26)22(15)27;1-31(2)13-14-6-7-27-21(8-14)15-9-17-18(11-29-24(17)28-10-15)23-19(12-30-32-23)16-4-3-5-20(25)22(16)26;1-30(2)14-6-7-26-20(9-14)13-8-16-17(11-28-23(16)27-10-13)22-18(12-29-31-22)15-4-3-5-19(24)21(15)25;22-17-3-1-2-13(19(17)23)16-10-28-29-20(16)15-9-27-21-14(15)6-11(8-26-21)18-7-12(24)4-5-25-18/h3-11H,12H2,1-2H3,(H,28,29);3-12H,13H2,1-2H3,(H,28,29);3-12H,1-2H3,(H,27,28);1-10H,(H2,24,25)(H,26,27).

What are the key properties of 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine?

1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 1704.12 g/mol, XLogP of 21.33, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-6-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-4-amine;2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-4-amine;1-[2-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 158867529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).