1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea

C36H40N10O3 — CID 67515060

About 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea

1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea (PubChem CID 67515060) has the molecular formula C36H40N10O3 and a molecular weight of 660.78 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
• PubChem CID: 67515060
• Molecular Formula: C36H40N10O3
• Molecular Weight: 660.78 g/mol
• Exact Mass: 660.33
• IUPAC Name: 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea
• SMILES: CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5ncc(-c6cnn(C)c6)cc5n4)cc3)cc2)CC1
• InChI: InChI=1S/C36H40N10O3/c1-43(2)30-12-14-46(15-13-30)35(47)25-6-10-29(11-7-25)40-36(48)39-28-8-4-24(5-9-28)33-41-31-20-26(27-22-38-44(3)23-27)21-37-32(31)34(42-33)45-16-18-49-19-17-45/h4-11,20-23,30H,12-19H2,1-3H3,(H2,39,40,48)
• InChIKey: NGVLKSDBUKGZQU-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 133.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.78
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea?

The IUPAC name of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea (CID 67515060) is 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea.

What is the SMILES notation for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea?

The canonical SMILES for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea is CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5ncc(-c6cnn(C)c6)cc5n4)cc3)cc2)CC1.

What is the InChIKey of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea?

The InChIKey is NGVLKSDBUKGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N10O3/c1-43(2)30-12-14-46(15-13-30)35(47)25-6-10-29(11-7-25)40-36(48)39-28-8-4-24(5-9-28)33-41-31-20-26(27-22-38-44(3)23-27)21-37-32(31)34(42-33)45-16-18-49-19-17-45/h4-11,20-23,30H,12-19H2,1-3H3,(H2,39,40,48).

What are the key properties of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea?

1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea has a molecular weight of 660.78 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 67515060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).