(2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone

C26H34N8O2 — CID 124979319

About (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone

(2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 124979319) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 124979319
• Molecular Formula: C26H34N8O2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.28
• IUPAC Name: (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: COc1ccccc1C(=O)N1CC[C@H](Cc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C1
• InChI: InChI=1S/C26H34N8O2/c1-18-14-24(31-30-18)28-23-16-25(33-12-10-32(2)11-13-33)29-22(27-23)15-19-8-9-34(17-19)26(35)20-6-4-5-7-21(20)36-3/h4-7,14,16,19H,8-13,15,17H2,1-3H3,(H2,27,28,29,30,31)/t19-/m1/s1
• InChIKey: MAKCDYNLWKWDIX-LJQANCHMSA-N
• XLogP: 2.72
• TPSA: 102.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone (CID 124979319) is (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone is COc1ccccc1C(=O)N1CC[C@H](Cc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)C1.

What is the InChIKey of (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is MAKCDYNLWKWDIX-LJQANCHMSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-18-14-24(31-30-18)28-23-16-25(33-12-10-32(2)11-13-33)29-22(27-23)15-19-8-9-34(17-19)26(35)20-6-4-5-7-21(20)36-3/h4-7,14,16,19H,8-13,15,17H2,1-3H3,(H2,27,28,29,30,31)/t19-/m1/s1.

What are the key properties of (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone?

(2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 490.61 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxyphenyl)-[(3R)-3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124979319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).