N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H33N7O3 — CID 129297032

About N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297032) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129297032
• Molecular Formula: C27H33N7O3
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.26
• IUPAC Name: N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(=O)N4CCCC4)CC3)cc2O1
• InChI: InChI=1S/C27H33N7O3/c1-27(2)16-19-14-21(30-26(36)20-17-29-34-9-5-6-28-25(20)34)22(15-23(19)37-27)32-12-10-31(11-13-32)18-24(35)33-7-3-4-8-33/h5-6,9,14-15,17H,3-4,7-8,10-13,16,18H2,1-2H3,(H,30,36)
• InChIKey: KJLMEZNTBTWXLY-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297032) is N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(=O)N4CCCC4)CC3)cc2O1.

What is the InChIKey of N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KJLMEZNTBTWXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-27(2)16-19-14-21(30-26(36)20-17-29-34-9-5-6-28-25(20)34)22(15-23(19)37-27)32-12-10-31(11-13-32)18-24(35)33-7-3-4-8-33/h5-6,9,14-15,17H,3-4,7-8,10-13,16,18H2,1-2H3,(H,30,36).

What are the key properties of N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).