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

C23H32N10O — CID 110096928

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

[3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 110096928) has the molecular formula C23H32N10O and a molecular weight of 464.58 g/mol. Its IUPAC name is [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

• Compound Name: [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
• PubChem CID: 110096928
• Molecular Formula: C23H32N10O
• Molecular Weight: 464.58 g/mol
• Exact Mass: 464.28
• IUPAC Name: [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
• SMILES: Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCN(C(=O)c4cnn(C)c4)C3)n2)n[nH]1
• InChI: InChI=1S/C23H32N10O/c1-16-10-21(29-28-16)26-20-12-22(32-8-6-30(2)7-9-32)27-19(25-20)11-17-4-5-33(14-17)23(34)18-13-24-31(3)15-18/h10,12-13,15,17H,4-9,11,14H2,1-3H3,(H2,25,26,27,28,29)
• InChIKey: RNYFCCTWNCGDQH-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 111.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.58
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 110096928) is [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

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

The canonical SMILES for [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCN(C(=O)c4cnn(C)c4)C3)n2)n[nH]1.

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

The InChIKey is RNYFCCTWNCGDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N10O/c1-16-10-21(29-28-16)26-20-12-22(32-8-6-30(2)7-9-32)27-19(25-20)11-17-4-5-33(14-17)23(34)18-13-24-31(3)15-18/h10,12-13,15,17H,4-9,11,14H2,1-3H3,(H2,25,26,27,28,29).

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

[3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 464.58 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110096928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).