2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine

C130H132F5N25O2 — CID 158983742

About 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine (PubChem CID 158983742) has the molecular formula C130H132F5N25O2 and a molecular weight of 2171.65 g/mol. Its IUPAC name is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
• PubChem CID: 158983742
• Molecular Formula: C130H132F5N25O2
• Molecular Weight: 2171.65 g/mol
• Exact Mass: 2170.09
• IUPAC Name: 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
• SMILES: CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(-c3ccccc3)cc12.COc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.COc1cccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c12.Cc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12
• InChI: InChI=1S/C30H28FN5.2C25H26FN5O.2C25H26FN5/c1-17-18-7-9-20(10-8-18)27(17)35-29-24-13-21(19-5-3-2-4-6-19)11-12-26(24)34-30(36-29)25-16-33-28-23(25)14-22(31)15-32-28;1-13-14-3-5-15(6-4-14)22(13)30-24-19-10-17(32-2)7-8-21(19)29-25(31-24)20-12-28-23-18(20)9-16(26)11-27-23;1-13-14-6-8-15(9-7-14)22(13)30-25-21-19(4-3-5-20(21)32-2)29-24(31-25)18-12-28-23-17(18)10-16(26)11-27-23;1-13-3-8-21-19(9-13)24(30-22-14(2)15-4-6-16(22)7-5-15)31-25(29-21)20-12-28-23-18(20)10-17(26)11-27-23;1-13-4-3-5-18-21(13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-6-8-16(22)9-7-15/h2-6,11-18,20,27H,7-10H2,1H3,(H,32,33)(H,34,35,36);7-15,22H,3-6H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-15,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31);3,8-12,14-16,22H,4-7H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-12,14-16,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31)
• InChIKey: JPHSHRZEDHKCEP-UHFFFAOYSA-N
• XLogP: 30.05
• TPSA: 350.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2171.65
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?

The IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine (CID 158983742) is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine.

What is the SMILES notation for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?

The canonical SMILES for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine is CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(-c3ccccc3)cc12.COc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.COc1cccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c12.Cc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12.

What is the InChIKey of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?

The InChIKey is JPHSHRZEDHKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5.2C25H26FN5O.2C25H26FN5/c1-17-18-7-9-20(10-8-18)27(17)35-29-24-13-21(19-5-3-2-4-6-19)11-12-26(24)34-30(36-29)25-16-33-28-23(25)14-22(31)15-32-28;1-13-14-3-5-15(6-4-14)22(13)30-24-19-10-17(32-2)7-8-21(19)29-25(31-24)20-12-28-23-18(20)9-16(26)11-27-23;1-13-14-6-8-15(9-7-14)22(13)30-25-21-19(4-3-5-20(21)32-2)29-24(31-25)18-12-28-23-17(18)10-16(26)11-27-23;1-13-3-8-21-19(9-13)24(30-22-14(2)15-4-6-16(22)7-5-15)31-25(29-21)20-12-28-23-18(20)10-17(26)11-27-23;1-13-4-3-5-18-21(13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-6-8-16(22)9-7-15/h2-6,11-18,20,27H,7-10H2,1H3,(H,32,33)(H,34,35,36);7-15,22H,3-6H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-15,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31);3,8-12,14-16,22H,4-7H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-12,14-16,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31).

What are the key properties of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine has a molecular weight of 2171.65 g/mol, XLogP of 30.05, 18 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine is sourced from PubChem (CID 158983742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).