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

C108H96N24O12 — CID 157173452

IUPAC1-[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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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
SMILESO=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(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C28H25N5O3.2C27H24N6O3.C26H23N7O3/c34-22(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;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;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;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/h1-9,16-18,31H,10-15H2;1-9,16-17H,10-15H2,(H,30,31);1-7,14-17H,8-13H2,(H,29,30,31);1-7,14-16H,8-13H2,(H,28,29,30,31)
InChIKeyANSWFQPJYREAAO-UHFFFAOYSA-N
MW1922.11 g/mol
LogP15.46
Rot. Bonds28

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

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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 157173452) has the molecular formula C108H96N24O12 and a molecular weight of 1922.11 g/mol. Its IUPAC name is 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 Name1-[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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 CID157173452
Molecular FormulaC108H96N24O12
Molecular Weight1922.11 g/mol
Exact Mass1920.76
IUPAC Name1-[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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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
SMILESO=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(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)no1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C28H25N5O3.2C27H24N6O3.C26H23N7O3/c34-22(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;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;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;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/h1-9,16-18,31H,10-15H2;1-9,16-17H,10-15H2,(H,30,31);1-7,14-17H,8-13H2,(H,29,30,31);1-7,14-16H,8-13H2,(H,28,29,30,31)
InChIKeyANSWFQPJYREAAO-UHFFFAOYSA-N
XLogP15.46
TPSA440.12 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.11
LogP ≤ 515.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 157173452) is 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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)ncnc3[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.
What is the InChIKey of 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 ANSWFQPJYREAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3.2C27H24N6O3.C26H23N7O3/c34-22(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;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;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;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/h1-9,16-18,31H,10-15H2;1-9,16-17H,10-15H2,(H,30,31);1-7,14-17H,8-13H2,(H,29,30,31);1-7,14-16H,8-13H2,(H,28,29,30,31).
What are the key properties of 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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?
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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 1922.11 g/mol, XLogP of 15.46, 28 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1,2-oxazol-5-yl)propan-2-one;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;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 157173452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).