4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one

C97H58Cl6F6N20O11 — CID 158374335

About 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 158374335) has the molecular formula C97H58Cl6F6N20O11 and a molecular weight of 2006.37 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 158374335
• Molecular Formula: C97H58Cl6F6N20O11
• Molecular Weight: 2006.37 g/mol
• Exact Mass: 2002.26
• IUPAC Name: 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: CCn1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2c1=O.Cc1noc(-c2c[nH]c3ncccc23)c1-c1cccc(Cl)c1Cl.O=c1[nH]ccc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c12.O=c1[nH]ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c12.O=c1[nH]cnc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c12.O=c1[nH]cnc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c12
• InChI: InChI=1S/C18H13F2N3O2.C17H11Cl2N3O.C16H9Cl2N3O2.C16H9F2N3O2.C15H8Cl2N4O2.C15H8F2N4O2/c1-2-23-7-6-11-12(8-21-16(11)18(23)24)17-13(9-22-25-17)10-4-3-5-14(19)15(10)20;1-9-14(11-4-2-6-13(18)15(11)19)16(23-22-9)12-8-21-17-10(12)5-3-7-20-17;2*17-12-3-1-2-8(13(12)18)11-7-21-23-15(11)10-6-20-14-9(10)4-5-19-16(14)22;2*16-10-3-1-2-7(11(10)17)8-5-21-23-14(8)9-4-18-13-12(9)19-6-20-15(13)22/h3-9,21H,2H2,1H3;2-8H,1H3,(H,20,21);2*1-7,20H,(H,19,22);2*1-6,18H,(H,19,20,22)
• InChIKey: GUZVVYQOEAIEBE-UHFFFAOYSA-N
• XLogP: 24.12
• TPSA: 443.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.37
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 158374335) is 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one is CCn1ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c2c1=O.Cc1noc(-c2c[nH]c3ncccc23)c1-c1cccc(Cl)c1Cl.O=c1[nH]ccc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c12.O=c1[nH]ccc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c12.O=c1[nH]cnc2c(-c3oncc3-c3cccc(Cl)c3Cl)c[nH]c12.O=c1[nH]cnc2c(-c3oncc3-c3cccc(F)c3F)c[nH]c12.

What is the InChIKey of 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is GUZVVYQOEAIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2.C17H11Cl2N3O.C16H9Cl2N3O2.C16H9F2N3O2.C15H8Cl2N4O2.C15H8F2N4O2/c1-2-23-7-6-11-12(8-21-16(11)18(23)24)17-13(9-22-25-17)10-4-3-5-14(19)15(10)20;1-9-14(11-4-2-6-13(18)15(11)19)16(23-22-9)12-8-21-17-10(12)5-3-7-20-17;2*17-12-3-1-2-8(13(12)18)11-7-21-23-15(11)10-6-20-14-9(10)4-5-19-16(14)22;2*16-10-3-1-2-7(11(10)17)8-5-21-23-14(8)9-4-18-13-12(9)19-6-20-15(13)22/h3-9,21H,2H2,1H3;2-8H,1H3,(H,20,21);2*1-7,20H,(H,19,22);2*1-6,18H,(H,19,20,22).

What are the key properties of 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one?

4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 2006.37 g/mol, XLogP of 24.12, 13 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dichlorophenyl)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-dichlorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;7-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-6-ethyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 158374335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).