5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine

C135H135F7N26 — CID 159265765

About 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159265765) has the molecular formula C135H135F7N26 and a molecular weight of 2254.73 g/mol. Its IUPAC name is 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 159265765
• Molecular Formula: C135H135F7N26
• Molecular Weight: 2254.73 g/mol
• Exact Mass: 2253.13
• IUPAC Name: 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC1C2CCC(CC2)C1Nc1cc(-c2ccccc2)nc(-c2c(-c3ccccc3)[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1nc(-c2c(-c3ccccc3)[nH]c3ncc(F)cc23)nc2c1ccn2C.CC1C2CCC(CC2)C1Nc1nc(-c2c(-c3ccccc3)[nH]c3ncc(F)cc23)ncc1F.Cc1c(F)cnc2[nH]cc(-c3nc(NC4C5CCC(CC5)C4C)cc(-c4ccccc4)n3)c12.Cc1c(F)cnc2[nH]cc(-c3ncc(F)c(NC4C5CCC(CC5)C4C)n3)c12
• InChI: InChI=1S/C32H30FN5.C29H29FN6.C27H28FN5.C26H25F2N5.C21H23F2N5/c1-19-20-12-14-23(15-13-20)29(19)36-27-17-26(21-8-4-2-5-9-21)35-32(37-27)28-25-16-24(33)18-34-31(25)38-30(28)22-10-6-3-7-11-22;1-16-17-8-10-19(11-9-17)24(16)32-27-21-12-13-36(2)29(21)35-28(34-27)23-22-14-20(30)15-31-26(22)33-25(23)18-6-4-3-5-7-18;1-15-17-8-10-19(11-9-17)25(15)32-23-12-22(18-6-4-3-5-7-18)31-26(33-23)20-13-29-27-24(20)16(2)21(28)14-30-27;1-14-15-7-9-17(10-8-15)22(14)31-25-20(28)13-30-26(33-25)21-19-11-18(27)12-29-24(19)32-23(21)16-5-3-2-4-6-16;1-10-12-3-5-13(6-4-12)18(10)27-20-16(23)9-25-19(28-20)14-7-24-21-17(14)11(2)15(22)8-26-21/h2-11,16-20,23,29H,12-15H2,1H3,(H,34,38)(H,35,36,37);3-7,12-17,19,24H,8-11H2,1-2H3,(H,31,33)(H,32,34,35);3-7,12-15,17,19,25H,8-11H2,1-2H3,(H,29,30)(H,31,32,33);2-6,11-15,17,22H,7-10H2,1H3,(H,29,32)(H,30,31,33);7-10,12-13,18H,3-6H2,1-2H3,(H,24,26)(H,25,27,28)
• InChIKey: KXBQCUZTNMQIFJ-UHFFFAOYSA-N
• XLogP: 31.70
• TPSA: 337.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2254.73
LogP ≤ 5	31.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 159265765) is 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1cc(-c2ccccc2)nc(-c2c(-c3ccccc3)[nH]c3ncc(F)cc23)n1.CC1C2CCC(CC2)C1Nc1nc(-c2c(-c3ccccc3)[nH]c3ncc(F)cc23)nc2c1ccn2C.CC1C2CCC(CC2)C1Nc1nc(-c2c(-c3ccccc3)[nH]c3ncc(F)cc23)ncc1F.Cc1c(F)cnc2[nH]cc(-c3nc(NC4C5CCC(CC5)C4C)cc(-c4ccccc4)n3)c12.Cc1c(F)cnc2[nH]cc(-c3ncc(F)c(NC4C5CCC(CC5)C4C)n3)c12.

What is the InChIKey of 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is KXBQCUZTNMQIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5.C29H29FN6.C27H28FN5.C26H25F2N5.C21H23F2N5/c1-19-20-12-14-23(15-13-20)29(19)36-27-17-26(21-8-4-2-5-9-21)35-32(37-27)28-25-16-24(33)18-34-31(25)38-30(28)22-10-6-3-7-11-22;1-16-17-8-10-19(11-9-17)24(16)32-27-21-12-13-36(2)29(21)35-28(34-27)23-22-14-20(30)15-31-26(22)33-25(23)18-6-4-3-5-7-18;1-15-17-8-10-19(11-9-17)25(15)32-23-12-22(18-6-4-3-5-7-18)31-26(33-23)20-13-29-27-24(20)16(2)21(28)14-30-27;1-14-15-7-9-17(10-8-15)22(14)31-25-20(28)13-30-26(33-25)21-19-11-18(27)12-29-24(19)32-23(21)16-5-3-2-4-6-16;1-10-12-3-5-13(6-4-12)18(10)27-20-16(23)9-25-19(28-20)14-7-24-21-17(14)11(2)15(22)8-26-21/h2-11,16-20,23,29H,12-15H2,1H3,(H,34,38)(H,35,36,37);3-7,12-17,19,24H,8-11H2,1-2H3,(H,31,33)(H,32,34,35);3-7,12-15,17,19,25H,8-11H2,1-2H3,(H,29,30)(H,31,32,33);2-6,11-15,17,22H,7-10H2,1H3,(H,29,32)(H,30,31,33);7-10,12-13,18H,3-6H2,1-2H3,(H,24,26)(H,25,27,28).

What are the key properties of 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine?

5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2254.73 g/mol, XLogP of 31.70, 20 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-fluoro-2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5-fluoro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylpyrimidin-4-amine;2-(5-fluoro-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159265765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).