N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H32N8O3 — CID 135354413

About N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135354413) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135354413
• Molecular Formula: C26H32N8O3
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.26
• IUPAC Name: N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(N)=O)CC3)cc1O2
• InChI: InChI=1S/C26H32N8O3/c1-31-7-3-26(4-8-31)15-18-13-20(30-25(36)19-16-29-34-6-2-5-28-24(19)34)21(14-22(18)37-26)33-11-9-32(10-12-33)17-23(27)35/h2,5-6,13-14,16H,3-4,7-12,15,17H2,1H3,(H2,27,35)(H,30,36)
• InChIKey: CSIYVFDBWCAUSJ-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 121.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135354413) is N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(N)=O)CC3)cc1O2.

What is the InChIKey of N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CSIYVFDBWCAUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-31-7-3-26(4-8-31)15-18-13-20(30-25(36)19-16-29-34-6-2-5-28-24(19)34)21(14-22(18)37-26)33-11-9-32(10-12-33)17-23(27)35/h2,5-6,13-14,16H,3-4,7-12,15,17H2,1H3,(H2,27,35)(H,30,36).

What are the key properties of N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 504.60 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135354413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).