N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

C31H33N9O3 — CID 68917875

About N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 68917875) has the molecular formula C31H33N9O3 and a molecular weight of 579.67 g/mol. Its IUPAC name is N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
• PubChem CID: 68917875
• Molecular Formula: C31H33N9O3
• Molecular Weight: 579.67 g/mol
• Exact Mass: 579.27
• IUPAC Name: N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
• SMILES: CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(C5C=NN(C)C5)cc4n3)cc2)cc1
• InChI: InChI=1S/C31H33N9O3/c1-20(41)39(3)26-10-8-25(9-11-26)35-31(42)34-24-6-4-21(5-7-24)29-36-27-16-22(23-18-33-38(2)19-23)17-32-28(27)30(37-29)40-12-14-43-15-13-40/h4-11,16-18,23H,12-15,19H2,1-3H3,(H2,34,35,42)
• InChIKey: DJMXVNJFSQHRJV-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 128.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.67
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?

The IUPAC name of N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (CID 68917875) is N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.

What is the SMILES notation for N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?

The canonical SMILES for N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(C5C=NN(C)C5)cc4n3)cc2)cc1.

What is the InChIKey of N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?

The InChIKey is DJMXVNJFSQHRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N9O3/c1-20(41)39(3)26-10-8-25(9-11-26)35-31(42)34-24-6-4-21(5-7-24)29-36-27-16-22(23-18-33-38(2)19-23)17-32-28(27)30(37-29)40-12-14-43-15-13-40/h4-11,16-18,23H,12-15,19H2,1-3H3,(H2,34,35,42).

What are the key properties of N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?

N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 579.67 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[4-[[4-[7-(2-methyl-3,4-dihydropyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 68917875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).