2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine

C137H143F6N35S — CID 161190839

About 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine (PubChem CID 161190839) has the molecular formula C137H143F6N35S and a molecular weight of 2425.95 g/mol. Its IUPAC name is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine.

Molecular Properties

• Compound Name: 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine
• PubChem CID: 161190839
• Molecular Formula: C137H143F6N35S
• Molecular Weight: 2425.95 g/mol
• Exact Mass: 2424.19
• IUPAC Name: 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine
• SMILES: CC1C2CCC(CC2)C1Cc1nc(-c2c[nH]c3ncc(F)cc23)nc2c1CCCC2.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c1ncn2C.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ncccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2nccnc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2scnc12
• InChI: InChI=1S/C25H29FN4.C24H24FN5.C23H23FN6.C22H24FN7.C22H22FN7.C21H21FN6S/c1-14-15-6-8-16(9-7-15)19(14)11-23-18-4-2-3-5-22(18)29-25(30-23)21-13-28-24-20(21)10-17(26)12-27-24;1-13-14-6-8-15(9-7-14)21(13)29-23-17-4-2-3-5-20(17)28-24(30-23)19-12-27-22-18(19)10-16(25)11-26-22;1-12-13-4-6-14(7-5-13)19(12)28-22-16-3-2-8-25-21(16)29-23(30-22)18-11-27-20-17(18)9-15(24)10-26-20;1-11-12-3-5-13(6-4-12)17(11)27-21-18-22(30(2)10-26-18)29-20(28-21)16-9-25-19-15(16)7-14(23)8-24-19;1-11-12-2-4-13(5-3-12)17(11)28-22-18-21(25-7-6-24-18)29-20(30-22)16-10-27-19-15(16)8-14(23)9-26-19;1-10-11-2-4-12(5-3-11)16(10)26-20-17-21(29-9-25-17)28-19(27-20)15-8-24-18-14(15)6-13(22)7-23-18/h10,12-16,19H,2-9,11H2,1H3,(H,27,28);2-5,10-15,21H,6-9H2,1H3,(H,26,27)(H,28,29,30);2-3,8-14,19H,4-7H2,1H3,(H,26,27)(H,25,28,29,30);7-13,17H,3-6H2,1-2H3,(H,24,25)(H,27,28,29);6-13,17H,2-5H2,1H3,(H,26,27)(H,25,28,29,30);6-12,16H,2-5H2,1H3,(H,23,24)(H,26,27,28)
• InChIKey: UTRVOPZKULUZMN-UHFFFAOYSA-N
• XLogP: 29.77
• TPSA: 456.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2425.95
LogP ≤ 5	29.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine?

The IUPAC name of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine (CID 161190839) is 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine.

What is the SMILES notation for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine?

The canonical SMILES for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine is CC1C2CCC(CC2)C1Cc1nc(-c2c[nH]c3ncc(F)cc23)nc2c1CCCC2.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c1ncn2C.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ncccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2nccnc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2scnc12.

What is the InChIKey of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine?

The InChIKey is UTRVOPZKULUZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4.C24H24FN5.C23H23FN6.C22H24FN7.C22H22FN7.C21H21FN6S/c1-14-15-6-8-16(9-7-15)19(14)11-23-18-4-2-3-5-22(18)29-25(30-23)21-13-28-24-20(21)10-17(26)12-27-24;1-13-14-6-8-15(9-7-14)21(13)29-23-17-4-2-3-5-20(17)28-24(30-23)19-12-27-22-18(19)10-16(25)11-26-22;1-12-13-4-6-14(7-5-13)19(12)28-22-16-3-2-8-25-21(16)29-23(30-22)18-11-27-20-17(18)9-15(24)10-26-20;1-11-12-3-5-13(6-4-12)17(11)27-21-18-22(30(2)10-26-18)29-20(28-21)16-9-25-19-15(16)7-14(23)8-24-19;1-11-12-2-4-13(5-3-12)17(11)28-22-18-21(25-7-6-24-18)29-20(30-22)16-10-27-19-15(16)8-14(23)9-26-19;1-10-11-2-4-12(5-3-11)16(10)26-20-17-21(29-9-25-17)28-19(27-20)15-8-24-18-14(15)6-13(22)7-23-18/h10,12-16,19H,2-9,11H2,1H3,(H,27,28);2-5,10-15,21H,6-9H2,1H3,(H,26,27)(H,28,29,30);2-3,8-14,19H,4-7H2,1H3,(H,26,27)(H,25,28,29,30);7-13,17H,3-6H2,1-2H3,(H,24,25)(H,27,28,29);6-13,17H,2-5H2,1H3,(H,26,27)(H,25,28,29,30);6-12,16H,2-5H2,1H3,(H,23,24)(H,26,27,28).

What are the key properties of 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine?

2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine has a molecular weight of 2425.95 g/mol, XLogP of 29.77, 18 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-5,6,7,8-tetrahydroquinazoline;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pteridin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrido[2,3-d]pyrimidin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-9-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)purin-6-amine is sourced from PubChem (CID 161190839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).