N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C27H28F3N9O2 — CID 122525759

About N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 122525759) has the molecular formula C27H28F3N9O2 and a molecular weight of 567.58 g/mol. Its IUPAC name is N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 122525759
• Molecular Formula: C27H28F3N9O2
• Molecular Weight: 567.58 g/mol
• Exact Mass: 567.23
• IUPAC Name: N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1nc(C(=O)Nc2ccc(CN3CCN(c4nccc(Nc5cc(C6CC6)[nH]n5)n4)CC3)cc2)c(C(F)(F)F)o1
• InChI: InChI=1S/C27H28F3N9O2/c1-16-32-23(24(41-16)27(28,29)30)25(40)33-19-6-2-17(3-7-19)15-38-10-12-39(13-11-38)26-31-9-8-21(35-26)34-22-14-20(36-37-22)18-4-5-18/h2-3,6-9,14,18H,4-5,10-13,15H2,1H3,(H,33,40)(H2,31,34,35,36,37)
• InChIKey: OMGDCZOQEWPJAF-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 128.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.58
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 122525759) is N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(CN3CCN(c4nccc(Nc5cc(C6CC6)[nH]n5)n4)CC3)cc2)c(C(F)(F)F)o1.

What is the InChIKey of N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

The InChIKey is OMGDCZOQEWPJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N9O2/c1-16-32-23(24(41-16)27(28,29)30)25(40)33-19-6-2-17(3-7-19)15-38-10-12-39(13-11-38)26-31-9-8-21(35-26)34-22-14-20(36-37-22)18-4-5-18/h2-3,6-9,14,18H,4-5,10-13,15H2,1H3,(H,33,40)(H2,31,34,35,36,37).

What are the key properties of N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?

N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 567.58 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methyl]phenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122525759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).