1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one

C83H77N19O7 — CID 159539258

About 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one (PubChem CID 159539258) has the molecular formula C83H77N19O7 and a molecular weight of 1452.65 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one
• PubChem CID: 159539258
• Molecular Formula: C83H77N19O7
• Molecular Weight: 1452.65 g/mol
• Exact Mass: 1451.63
• IUPAC Name: 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one
• SMILES: Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2ccccc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1
• InChI: InChI=1S/C28H27N7O2.C28H25N5O3.C27H25N7O2/c1-34-22(15-26(33-34)21-3-2-8-29-17-21)14-23(36)13-19-4-6-20(7-5-19)25-16-24-27(32-25)30-18-31-28(24)35-9-11-37-12-10-35;34-22(15-23-16-26(32-36-23)20-4-2-1-3-5-20)14-19-6-8-21(9-7-19)25-17-24-27(31-25)29-18-30-28(24)33-10-12-35-13-11-33;35-22(13-21-14-25(33-32-21)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)34-8-10-36-11-9-34/h2-8,15-18H,9-14H2,1H3,(H,30,31,32);1-9,16-18H,10-15H2,(H,29,30,31);1-7,14-17H,8-13H2,(H,32,33)(H,29,30,31)
• InChIKey: MDZIPSMRKZNKNI-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 311.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1452.65
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one?

The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one (CID 159539258) is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one.

What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one?

The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one is Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2ccccc2)no1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.

What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one?

The InChIKey is MDZIPSMRKZNKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2.C28H25N5O3.C27H25N7O2/c1-34-22(15-26(33-34)21-3-2-8-29-17-21)14-23(36)13-19-4-6-20(7-5-19)25-16-24-27(32-25)30-18-31-28(24)35-9-11-37-12-10-35;34-22(15-23-16-26(32-36-23)20-4-2-1-3-5-20)14-19-6-8-21(9-7-19)25-17-24-27(31-25)29-18-30-28(24)33-10-12-35-13-11-33;35-22(13-21-14-25(33-32-21)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)34-8-10-36-11-9-34/h2-8,15-18H,9-14H2,1H3,(H,30,31,32);1-9,16-18H,10-15H2,(H,29,30,31);1-7,14-17H,8-13H2,(H,32,33)(H,29,30,31).

What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one?

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one has a molecular weight of 1452.65 g/mol, XLogP of 11.68, 21 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-phenyl-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-1H-pyrazol-5-yl)propan-2-one is sourced from PubChem (CID 159539258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).