bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)

C216H192N48O24 — CID 158333216

About bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)

bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one) (PubChem CID 158333216) has the molecular formula C216H192N48O24 and a molecular weight of 3844.22 g/mol. Its IUPAC name is bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one).

Molecular Properties

• Compound Name: bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)
• PubChem CID: 158333216
• Molecular Formula: C216H192N48O24
• Molecular Weight: 3844.22 g/mol
• Exact Mass: 3841.53
• IUPAC Name: bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)
• SMILES: O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)no1
• InChI: InChI=1S/2C28H25N5O3.4C27H24N6O3.2C26H23N7O3/c2*34-22(15-23-16-27(32-36-23)21-2-1-8-29-18-21)14-19-3-5-20(6-4-19)26-17-24-25(31-26)7-9-30-28(24)33-10-12-35-13-11-33;2*34-21(15-22-16-24(32-36-22)20-2-1-8-28-17-20)14-18-3-5-19(6-4-18)26-30-23-7-9-29-27(25(23)31-26)33-10-12-35-13-11-33;2*34-21(13-22-14-25(32-36-22)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)33-8-10-35-11-9-33;2*34-20(13-21-14-22(32-36-21)19-2-1-7-27-15-19)12-17-3-5-18(6-4-17)24-30-23-25(31-24)28-16-29-26(23)33-8-10-35-11-9-33/h2*1-9,16-18,31H,10-15H2;2*1-9,16-17H,10-15H2,(H,30,31);2*1-7,14-17H,8-13H2,(H,29,30,31);2*1-7,14-16H,8-13H2,(H,28,29,30,31)
• InChIKey: GQGKQACRUGIXEL-UHFFFAOYSA-N
• XLogP: 30.93
• TPSA: 880.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 64
• Rotatable Bonds: 56
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3844.22
LogP ≤ 5	30.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)?

The IUPAC name of bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one) (CID 158333216) is bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one).

What is the SMILES notation for bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)?

The canonical SMILES for bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one) is O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.

What is the InChIKey of bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)?

The InChIKey is GQGKQACRUGIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H25N5O3.4C27H24N6O3.2C26H23N7O3/c2*34-22(15-23-16-27(32-36-23)21-2-1-8-29-18-21)14-19-3-5-20(6-4-19)26-17-24-25(31-26)7-9-30-28(24)33-10-12-35-13-11-33;2*34-21(15-22-16-24(32-36-22)20-2-1-8-28-17-20)14-18-3-5-19(6-4-18)26-30-23-7-9-29-27(25(23)31-26)33-10-12-35-13-11-33;2*34-21(13-22-14-25(32-36-22)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)33-8-10-35-11-9-33;2*34-20(13-21-14-22(32-36-21)19-2-1-7-27-15-19)12-17-3-5-18(6-4-17)24-30-23-25(31-24)28-16-29-26(23)33-8-10-35-11-9-33/h2*1-9,16-18,31H,10-15H2;2*1-9,16-17H,10-15H2,(H,30,31);2*1-7,14-17H,8-13H2,(H,29,30,31);2*1-7,14-16H,8-13H2,(H,28,29,30,31).

What are the key properties of bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one)?

bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one) has a molecular weight of 3844.22 g/mol, XLogP of 30.93, 56 rotatable bonds, 8 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one);bis(1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one) is sourced from PubChem (CID 158333216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).