N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C32H33N9O2 — CID 122650694

About N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 122650694) has the molecular formula C32H33N9O2 and a molecular weight of 575.68 g/mol. Its IUPAC name is N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• PubChem CID: 122650694
• Molecular Formula: C32H33N9O2
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.28
• IUPAC Name: N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• SMILES: Cc1nnc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)o1
• InChI: InChI=1S/C32H33N9O2/c1-21-4-9-27(35-30(42)24-7-5-23(6-8-24)20-41-14-12-40(3)13-15-41)17-29(21)37-32-34-11-10-28(36-32)25-16-26(19-33-18-25)31-39-38-22(2)43-31/h4-11,16-19H,12-15,20H2,1-3H3,(H,35,42)(H,34,36,37)
• InChIKey: SRWSCJJFUPPXPK-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 125.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The IUPAC name of N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 122650694) is N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

What is the SMILES notation for N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The canonical SMILES for N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1nnc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)o1.

What is the InChIKey of N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The InChIKey is SRWSCJJFUPPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N9O2/c1-21-4-9-27(35-30(42)24-7-5-23(6-8-24)20-41-14-12-40(3)13-15-41)17-29(21)37-32-34-11-10-28(36-32)25-16-26(19-33-18-25)31-39-38-22(2)43-31/h4-11,16-19H,12-15,20H2,1-3H3,(H,35,42)(H,34,36,37).

What are the key properties of N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 575.68 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 122650694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).