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

C122H121Cl3F5N25 — CID 158424277

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

5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 158424277) has the molecular formula C122H121Cl3F5N25 and a molecular weight of 2138.83 g/mol. Its IUPAC name is 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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: 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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: 158424277
• Molecular Formula: C122H121Cl3F5N25
• Molecular Weight: 2138.83 g/mol
• Exact Mass: 2135.92
• IUPAC Name: 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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)nc2cc(Cl)ccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(Cl)cc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2cccc(Cl)c12.Cc1ccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12
• InChI: InChI=1S/2C25H26FN5.3C24H23ClFN5/c1-13-3-8-18-21(9-13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-4-6-16(22)7-5-15;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;1-12-13-2-4-14(5-3-13)21(12)30-23-18-8-15(25)6-7-20(18)29-24(31-23)19-11-28-22-17(19)9-16(26)10-27-22;1-12-13-2-4-14(5-3-13)21(12)30-23-17-7-6-15(25)8-20(17)29-24(31-23)19-11-28-22-18(19)9-16(26)10-27-22;1-12-13-5-7-14(8-6-13)21(12)30-24-20-18(25)3-2-4-19(20)29-23(31-24)17-11-28-22-16(17)9-15(26)10-27-22/h3,8-12,14-16,22H,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);2*6-14,21H,2-5H2,1H3,(H,27,28)(H,29,30,31);2-4,9-14,21H,5-8H2,1H3,(H,27,28)(H,29,30,31)
• InChIKey: HAVYMHNUTHKIHK-UHFFFAOYSA-N
• XLogP: 30.32
• TPSA: 332.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.83
LogP ≤ 5	30.32
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 158424277) is 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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)nc2cc(Cl)ccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(Cl)cc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2cccc(Cl)c12.Cc1ccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12.

What is the InChIKey of 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 HAVYMHNUTHKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26FN5.3C24H23ClFN5/c1-13-3-8-18-21(9-13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-4-6-16(22)7-5-15;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;1-12-13-2-4-14(5-3-13)21(12)30-23-18-8-15(25)6-7-20(18)29-24(31-23)19-11-28-22-17(19)9-16(26)10-27-22;1-12-13-2-4-14(5-3-13)21(12)30-23-17-7-6-15(25)8-20(17)29-24(31-23)19-11-28-22-18(19)9-16(26)10-27-22;1-12-13-5-7-14(8-6-13)21(12)30-24-20-18(25)3-2-4-19(20)29-23(31-24)17-11-28-22-16(17)9-15(26)10-27-22/h3,8-12,14-16,22H,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);2*6-14,21H,2-5H2,1H3,(H,27,28)(H,29,30,31);2-4,9-14,21H,5-8H2,1H3,(H,27,28)(H,29,30,31).

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

5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 2138.83 g/mol, XLogP of 30.32, 15 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;6-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;7-chloro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-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 158424277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).