5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

C29H34N6O3 — CID 155714979

About 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 155714979) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
• PubChem CID: 155714979
• Molecular Formula: C29H34N6O3
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.27
• IUPAC Name: 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
• SMILES: Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)cn(C)c1=O
• InChI: InChI=1S/C29H34N6O3/c1-18-11-21(14-33(4)28(18)36)20-7-8-24-23(12-20)27(35-9-10-38-16-25(35)19-5-6-19)32-26(31-24)22-13-30-34(15-22)17-29(2,3)37/h7-8,11-15,19,25,37H,5-6,9-10,16-17H2,1-4H3/t25-/m1/s1
• InChIKey: ABZCGQSUBXIYHN-RUZDIDTESA-N
• XLogP: 3.55
• TPSA: 98.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

The IUPAC name of 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (CID 155714979) is 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.

What is the SMILES notation for 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

The canonical SMILES for 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4C4CC4)c3c2)cn(C)c1=O.

What is the InChIKey of 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

The InChIKey is ABZCGQSUBXIYHN-RUZDIDTESA-N. The full InChI is InChI=1S/C29H34N6O3/c1-18-11-21(14-33(4)28(18)36)20-7-8-24-23(12-20)27(35-9-10-38-16-25(35)19-5-6-19)32-26(31-24)22-13-30-34(15-22)17-29(2,3)37/h7-8,11-15,19,25,37H,5-6,9-10,16-17H2,1-4H3/t25-/m1/s1.

What are the key properties of 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?

5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 514.63 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 155714979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).