(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide

C32H40N8O3 — CID 70848196

About (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide

(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide (PubChem CID 70848196) has the molecular formula C32H40N8O3 and a molecular weight of 584.73 g/mol. Its IUPAC name is (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide
• PubChem CID: 70848196
• Molecular Formula: C32H40N8O3
• Molecular Weight: 584.73 g/mol
• Exact Mass: 584.32
• IUPAC Name: (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide
• SMILES: C/C(=C/C(=O)Nc1ccc(CC(=O)N2CCN(c3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3)CC2)cc1)C(C)C
• InChI: InChI=1S/C32H40N8O3/c1-22(2)23(3)16-30(41)36-26-6-4-24(5-7-26)17-31(42)40-10-8-38(9-11-40)27-18-28(25-20-34-32(33)35-21-25)37-29(19-27)39-12-14-43-15-13-39/h4-7,16,18-22H,8-15,17H2,1-3H3,(H,36,41)(H2,33,34,35)/b23-16-
• InChIKey: COPUXQSKUXHTSZ-KQWNVCNZSA-N
• XLogP: 3.39
• TPSA: 129.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.73
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide?

The IUPAC name of (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide (CID 70848196) is (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide.

What is the SMILES notation for (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide?

The canonical SMILES for (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide is C/C(=C/C(=O)Nc1ccc(CC(=O)N2CCN(c3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3)CC2)cc1)C(C)C.

What is the InChIKey of (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide?

The InChIKey is COPUXQSKUXHTSZ-KQWNVCNZSA-N. The full InChI is InChI=1S/C32H40N8O3/c1-22(2)23(3)16-30(41)36-26-6-4-24(5-7-26)17-31(42)40-10-8-38(9-11-40)27-18-28(25-20-34-32(33)35-21-25)37-29(19-27)39-12-14-43-15-13-39/h4-7,16,18-22H,8-15,17H2,1-3H3,(H,36,41)(H2,33,34,35)/b23-16-.

What are the key properties of (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide?

(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide has a molecular weight of 584.73 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide is sourced from PubChem (CID 70848196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).