2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide

C104H98N22O10 — CID 160734685

About 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide

2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide (PubChem CID 160734685) has the molecular formula C104H98N22O10 and a molecular weight of 1816.07 g/mol. Its IUPAC name is 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide.

Molecular Properties

• Compound Name: 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide
• PubChem CID: 160734685
• Molecular Formula: C104H98N22O10
• Molecular Weight: 1816.07 g/mol
• Exact Mass: 1814.78
• IUPAC Name: 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide
• SMILES: Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4c3N=NC4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CCOCC4)nc4c3N=NC4C)c2)c1.Cc1cccc(NC(=O)c2cccc(Oc3nc(-c4cccnc4)nc4c3N=NC4C)c2)c1.Cc1cccc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4c3N=NC4C)c2)c1
• InChI: InChI=1S/C28H31N5O3.C26H27N5O3.2C25H20N6O2/c1-16-7-6-8-22(11-16)23(34)12-21-10-9-17(2)24(13-21)36-27-26-25(20(5)31-32-26)29-28(30-27)33-14-18(3)35-19(4)15-33;1-16-5-4-6-20(13-16)21(32)14-19-8-7-17(2)22(15-19)34-25-24-23(18(3)29-30-24)27-26(28-25)31-9-11-33-12-10-31;1-15-6-3-9-19(12-15)27-24(32)17-7-4-10-20(13-17)33-25-22-21(16(2)30-31-22)28-23(29-25)18-8-5-11-26-14-18;1-15-5-3-7-19(13-15)27-24(32)18-6-4-8-20(14-18)33-25-22-21(16(2)30-31-22)28-23(29-25)17-9-11-26-12-10-17/h6-11,13,18-20H,12,14-15H2,1-5H3;4-8,13,15,18H,9-12,14H2,1-3H3;2*3-14,16H,1-2H3,(H,27,32)
• InChIKey: RUUIOWHQGXTFMF-UHFFFAOYSA-N
• XLogP: 23.49
• TPSA: 381.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.07
LogP ≤ 5	23.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide?

The IUPAC name of 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide (CID 160734685) is 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide.

What is the SMILES notation for 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide?

The canonical SMILES for 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide is Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4c3N=NC4C)c2)c1.Cc1cccc(C(=O)Cc2ccc(C)c(Oc3nc(N4CCOCC4)nc4c3N=NC4C)c2)c1.Cc1cccc(NC(=O)c2cccc(Oc3nc(-c4cccnc4)nc4c3N=NC4C)c2)c1.Cc1cccc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4c3N=NC4C)c2)c1.

What is the InChIKey of 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide?

The InChIKey is RUUIOWHQGXTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3.C26H27N5O3.2C25H20N6O2/c1-16-7-6-8-22(11-16)23(34)12-21-10-9-17(2)24(13-21)36-27-26-25(20(5)31-32-26)29-28(30-27)33-14-18(3)35-19(4)15-33;1-16-5-4-6-20(13-16)21(32)14-19-8-7-17(2)22(15-19)34-25-24-23(18(3)29-30-24)27-26(28-25)31-9-11-33-12-10-31;1-15-6-3-9-19(12-15)27-24(32)17-7-4-10-20(13-17)33-25-22-21(16(2)30-31-22)28-23(29-25)18-8-5-11-26-14-18;1-15-5-3-7-19(13-15)27-24(32)18-6-4-8-20(14-18)33-25-22-21(16(2)30-31-22)28-23(29-25)17-9-11-26-12-10-17/h6-11,13,18-20H,12,14-15H2,1-5H3;4-8,13,15,18H,9-12,14H2,1-3H3;2*3-14,16H,1-2H3,(H,27,32).

What are the key properties of 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide?

2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide has a molecular weight of 1816.07 g/mol, XLogP of 23.49, 22 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[5-(2,6-dimethylmorpholin-4-yl)-3-methyl-3H-pyrazolo[4,3-d]pyrimidin-7-yl]oxy]-4-methylphenyl]-1-(3-methylphenyl)ethanone;2-[4-methyl-3-[(3-methyl-5-morpholin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]phenyl]-1-(3-methylphenyl)ethanone;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-3-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide;N-(3-methylphenyl)-3-[(3-methyl-5-pyridin-4-yl-3H-pyrazolo[4,3-d]pyrimidin-7-yl)oxy]benzamide is sourced from PubChem (CID 160734685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).