4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole

C101H77F8N17O6 — CID 157412115

About 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole

4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole (PubChem CID 157412115) has the molecular formula C101H77F8N17O6 and a molecular weight of 1776.82 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
• PubChem CID: 157412115
• Molecular Formula: C101H77F8N17O6
• Molecular Weight: 1776.82 g/mol
• Exact Mass: 1775.61
• IUPAC Name: 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
• SMILES: CC(=O)Nc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5oncc5-c5cccc(F)c5F)c4c3)cc2)CC1.COc1cncc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccc(CN5CCCC5)cc4)cc23)c1F
• InChI: InChI=1S/C28H25F2N5O.C27H22F2N4O.C24H16F2N4O2.C22H14F2N4O2/c1-34-9-11-35(12-10-34)17-18-5-7-19(8-6-18)20-13-22-23(15-32-28(22)31-14-20)27-24(16-33-36-27)21-3-2-4-25(29)26(21)30;28-24-5-3-4-20(25(24)29)23-15-32-34-26(23)22-14-31-27-21(22)12-19(13-30-27)18-8-6-17(7-9-18)16-33-10-1-2-11-33;1-13(31)30-16-7-5-14(6-8-16)15-9-18-19(11-28-24(18)27-10-15)23-20(12-29-32-23)17-3-2-4-21(25)22(17)26;1-29-14-5-12(7-25-9-14)13-6-16-17(10-27-22(16)26-8-13)21-18(11-28-30-21)15-3-2-4-19(23)20(15)24/h2-8,13-16H,9-12,17H2,1H3,(H,31,32);3-9,12-15H,1-2,10-11,16H2,(H,30,31);2-12H,1H3,(H,27,28)(H,30,31);2-11H,1H3,(H,26,27)
• InChIKey: BOKFZHMXNPMOFX-UHFFFAOYSA-N
• XLogP: 23.03
• TPSA: 279.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.82
LogP ≤ 5	23.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?

The IUPAC name of 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole (CID 157412115) is 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole.

What is the SMILES notation for 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?

The canonical SMILES for 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole is CC(=O)Nc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1.CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5oncc5-c5cccc(F)c5F)c4c3)cc2)CC1.COc1cncc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1.Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccc(CN5CCCC5)cc4)cc23)c1F.

What is the InChIKey of 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?

The InChIKey is BOKFZHMXNPMOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O.C27H22F2N4O.C24H16F2N4O2.C22H14F2N4O2/c1-34-9-11-35(12-10-34)17-18-5-7-19(8-6-18)20-13-22-23(15-32-28(22)31-14-20)27-24(16-33-36-27)21-3-2-4-25(29)26(21)30;28-24-5-3-4-20(25(24)29)23-15-32-34-26(23)22-14-31-27-21(22)12-19(13-30-27)18-8-6-17(7-9-18)16-33-10-1-2-11-33;1-13(31)30-16-7-5-14(6-8-16)15-9-18-19(11-28-24(18)27-10-15)23-20(12-29-32-23)17-3-2-4-21(25)22(17)26;1-29-14-5-12(7-25-9-14)13-6-16-17(10-27-22(16)26-8-13)21-18(11-28-30-21)15-3-2-4-19(23)20(15)24/h2-8,13-16H,9-12,17H2,1H3,(H,31,32);3-9,12-15H,1-2,10-11,16H2,(H,30,31);2-12H,1H3,(H,27,28)(H,30,31);2-11H,1H3,(H,26,27).

What are the key properties of 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole?

4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole has a molecular weight of 1776.82 g/mol, XLogP of 23.03, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole is sourced from PubChem (CID 157412115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).