N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H30N6O3 — CID 129284364

About N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284364) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 129284364
• Molecular Formula: C25H30N6O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.24
• IUPAC Name: N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc1O2
• InChI: InChI=1S/C25H30N6O3/c1-2-29-8-4-25(5-9-29)16-18-14-20(21(15-22(18)34-25)30-10-12-33-13-11-30)28-24(32)19-17-27-31-7-3-6-26-23(19)31/h3,6-7,14-15,17H,2,4-5,8-13,16H2,1H3,(H,28,32)
• InChIKey: JVCBKIHSCGEGSQ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284364) is N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCC2(CC1)Cc1cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc1O2.

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

The InChIKey is JVCBKIHSCGEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-2-29-8-4-25(5-9-29)16-18-14-20(21(15-22(18)34-25)30-10-12-33-13-11-30)28-24(32)19-17-27-31-7-3-6-26-23(19)31/h3,6-7,14-15,17H,2,4-5,8-13,16H2,1H3,(H,28,32).

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

N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1'-ethyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).