4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide

C24H28N10O2 — CID 146399027

About 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide

4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide (PubChem CID 146399027) has the molecular formula C24H28N10O2 and a molecular weight of 488.56 g/mol. Its IUPAC name is 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide
• PubChem CID: 146399027
• Molecular Formula: C24H28N10O2
• Molecular Weight: 488.56 g/mol
• Exact Mass: 488.24
• IUPAC Name: 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)N[C@@H](C)c3ccc(-c4cocn4)nc3)CC2)n1
• InChI: InChI=1S/C24H28N10O2/c1-15-10-21(29-22-11-16(2)31-32-22)30-23(27-15)33-6-8-34(9-7-33)24(35)28-17(3)18-4-5-19(25-12-18)20-13-36-14-26-20/h4-5,10-14,17H,6-9H2,1-3H3,(H,28,35)(H2,27,29,30,31,32)/t17-/m0/s1
• InChIKey: ORQCJFZVOGDHQC-KRWDZBQOSA-N
• XLogP: 3.20
• TPSA: 140.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide?

The IUPAC name of 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide (CID 146399027) is 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide?

The canonical SMILES for 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)N[C@@H](C)c3ccc(-c4cocn4)nc3)CC2)n1.

What is the InChIKey of 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide?

The InChIKey is ORQCJFZVOGDHQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N10O2/c1-15-10-21(29-22-11-16(2)31-32-22)30-23(27-15)33-6-8-34(9-7-33)24(35)28-17(3)18-4-5-19(25-12-18)20-13-36-14-26-20/h4-5,10-14,17H,6-9H2,1-3H3,(H,28,35)(H2,27,29,30,31,32)/t17-/m0/s1.

What are the key properties of 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide?

4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-[6-(1,3-oxazol-4-yl)-3-pyridinyl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 146399027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).