N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine

C42H53FN8O5 — CID 170740981

About N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine

N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 170740981) has the molecular formula C42H53FN8O5 and a molecular weight of 768.94 g/mol. Its IUPAC name is N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine
• PubChem CID: 170740981
• Molecular Formula: C42H53FN8O5
• Molecular Weight: 768.94 g/mol
• Exact Mass: 768.41
• IUPAC Name: N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine
• SMILES: Cc1cc(OC(C)C)c(NC=O)cc1CN(C=O)C1CCN(CC2CCN(c3ccc(C4CCC(=O)NC4=O)c(F)c3)CC2)CC1.Cc1cnn2cccnc12
• InChI: InChI=1S/C35H46FN5O5.C7H7N3/c1-23(2)46-33-16-24(3)26(17-32(33)37-21-42)20-41(22-43)27-10-12-39(13-11-27)19-25-8-14-40(15-9-25)28-4-5-29(31(36)18-28)30-6-7-34(44)38-35(30)45;1-6-5-9-10-4-2-3-8-7(6)10/h4-5,16-18,21-23,25,27,30H,6-15,19-20H2,1-3H3,(H,37,42)(H,38,44,45);2-5H,1H3
• InChIKey: JWCZQWMFORBVMO-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 141.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.94
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine?

The IUPAC name of N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine (CID 170740981) is N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine?

The canonical SMILES for N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(OC(C)C)c(NC=O)cc1CN(C=O)C1CCN(CC2CCN(c3ccc(C4CCC(=O)NC4=O)c(F)c3)CC2)CC1.Cc1cnn2cccnc12.

What is the InChIKey of N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine?

The InChIKey is JWCZQWMFORBVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46FN5O5.C7H7N3/c1-23(2)46-33-16-24(3)26(17-32(33)37-21-42)20-41(22-43)27-10-12-39(13-11-27)19-25-8-14-40(15-9-25)28-4-5-29(31(36)18-28)30-6-7-34(44)38-35(30)45;1-6-5-9-10-4-2-3-8-7(6)10/h4-5,16-18,21-23,25,27,30H,6-15,19-20H2,1-3H3,(H,37,42)(H,38,44,45);2-5H,1H3.

What are the key properties of N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine?

N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 768.94 g/mol, XLogP of 5.39, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-formylamino]methyl]-4-methyl-2-propan-2-yloxyphenyl]formamide;3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170740981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).