6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine

C137H145F7N30O6 — CID 159223218

About 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine

6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine (PubChem CID 159223218) has the molecular formula C137H145F7N30O6 and a molecular weight of 2440.86 g/mol. Its IUPAC name is 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine
• PubChem CID: 159223218
• Molecular Formula: C137H145F7N30O6
• Molecular Weight: 2440.86 g/mol
• Exact Mass: 2439.19
• IUPAC Name: 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine
• SMILES: CC1C2CCC(CC2)C1Nc1cc(-c2ccc(-n3cccc3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCN(C)CC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCOCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2oc(F)cc2F)nc(-c2c[nH]c3ncc(F)cc23)n1
• InChI: InChI=1S/C29H34FN7O.C28H31FN6O2.C28H31FN6O.C28H27FN6O.C24H22F3N5O/c1-17-18-3-5-19(6-4-18)27(17)34-25-14-23(24-7-8-26(38-24)37-11-9-36(2)10-12-37)33-29(35-25)22-16-32-28-21(22)13-20(30)15-31-28;1-16-17-2-4-18(5-3-17)26(16)33-24-13-22(23-6-7-25(37-23)35-8-10-36-11-9-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;2*1-16-17-4-6-18(7-5-17)26(16)33-24-13-22(23-8-9-25(36-23)35-10-2-3-11-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;1-11-12-2-4-13(5-3-12)21(11)31-20-8-18(22-17(26)7-19(27)33-22)30-24(32-20)16-10-29-23-15(16)6-14(25)9-28-23/h7-8,13-19,27H,3-6,9-12H2,1-2H3,(H,31,32)(H,33,34,35);6-7,12-18,26H,2-5,8-11H2,1H3,(H,30,31)(H,32,33,34);8-9,12-18,26H,2-7,10-11H2,1H3,(H,30,31)(H,32,33,34);2-3,8-18,26H,4-7H2,1H3,(H,30,31)(H,32,33,34);6-13,21H,2-5H2,1H3,(H,28,29)(H,30,31,32)
• InChIKey: KRYORFAOUDAJAK-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 425.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2440.86
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine?

The IUPAC name of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine (CID 159223218) is 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine.

What is the SMILES notation for 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine?

The canonical SMILES for 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1cc(-c2ccc(-n3cccc3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCN(C)CC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2ccc(N3CCOCC3)o2)nc(-c2c[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1cc(-c2oc(F)cc2F)nc(-c2c[nH]c3ncc(F)cc23)n1.

What is the InChIKey of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine?

The InChIKey is KRYORFAOUDAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O.C28H31FN6O2.C28H31FN6O.C28H27FN6O.C24H22F3N5O/c1-17-18-3-5-19(6-4-18)27(17)34-25-14-23(24-7-8-26(38-24)37-11-9-36(2)10-12-37)33-29(35-25)22-16-32-28-21(22)13-20(30)15-31-28;1-16-17-2-4-18(5-3-17)26(16)33-24-13-22(23-6-7-25(37-23)35-8-10-36-11-9-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;2*1-16-17-4-6-18(7-5-17)26(16)33-24-13-22(23-8-9-25(36-23)35-10-2-3-11-35)32-28(34-24)21-15-31-27-20(21)12-19(29)14-30-27;1-11-12-2-4-13(5-3-12)21(11)31-20-8-18(22-17(26)7-19(27)33-22)30-24(32-20)16-10-29-23-15(16)6-14(25)9-28-23/h7-8,13-19,27H,3-6,9-12H2,1-2H3,(H,31,32)(H,33,34,35);6-7,12-18,26H,2-5,8-11H2,1H3,(H,30,31)(H,32,33,34);8-9,12-18,26H,2-7,10-11H2,1H3,(H,30,31)(H,32,33,34);2-3,8-18,26H,4-7H2,1H3,(H,30,31)(H,32,33,34);6-13,21H,2-5H2,1H3,(H,28,29)(H,30,31,32).

What are the key properties of 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine?

6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 2440.86 g/mol, XLogP of 29.54, 24 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-difluorofuran-2-yl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[5-(4-methylpiperazin-1-yl)furan-2-yl]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-morpholin-4-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrolidin-1-ylfuran-2-yl)pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(5-pyrrol-1-ylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 159223218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).