2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid

C49H57N11O9 — CID 158779468

About 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid

2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid (PubChem CID 158779468) has the molecular formula C49H57N11O9 and a molecular weight of 944.06 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid
• PubChem CID: 158779468
• Molecular Formula: C49H57N11O9
• Molecular Weight: 944.06 g/mol
• Exact Mass: 943.43
• IUPAC Name: 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid
• SMILES: CNC(=O)c1cc(-c2ccc3c(N4CCOCC4)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC.COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)O
• InChI: InChI=1S/C25H30N6O4.C24H27N5O5/c1-16-15-35-13-10-31(16)25-28-22-18(23(29-25)30-8-11-34-12-9-30)5-6-20(27-22)17-4-7-21(33-3)19(14-17)24(32)26-2;1-15-14-34-12-9-29(15)24-26-21-17(22(27-24)28-7-10-33-11-8-28)4-5-19(25-21)16-3-6-20(32-2)18(13-16)23(30)31/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32);3-6,13,15H,7-12,14H2,1-2H3,(H,30,31)/t16-;15-/m00/s1
• InChIKey: IQWQSTVTBRTYCX-HSFSLCHJSA-N
• XLogP: 4.58
• TPSA: 212.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.06
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid?

The IUPAC name of 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid (CID 158779468) is 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid.

What is the SMILES notation for 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid?

The canonical SMILES for 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid is CNC(=O)c1cc(-c2ccc3c(N4CCOCC4)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC.COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)O.

What is the InChIKey of 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid?

The InChIKey is IQWQSTVTBRTYCX-HSFSLCHJSA-N. The full InChI is InChI=1S/C25H30N6O4.C24H27N5O5/c1-16-15-35-13-10-31(16)25-28-22-18(23(29-25)30-8-11-34-12-9-30)5-6-20(27-22)17-4-7-21(33-3)19(14-17)24(32)26-2;1-15-14-34-12-9-29(15)24-26-21-17(22(27-24)28-7-10-33-11-8-28)4-5-19(25-21)16-3-6-20(32-2)18(13-16)23(30)31/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,32);3-6,13,15H,7-12,14H2,1-2H3,(H,30,31)/t16-;15-/m00/s1.

What are the key properties of 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid?

2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid has a molecular weight of 944.06 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-methyl-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide;2-methoxy-5-[2-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzoic acid is sourced from PubChem (CID 158779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).