(5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone

C22H28N6O3 — CID 146068230

About (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone

(5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone (PubChem CID 146068230) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone.

Molecular Properties

• Compound Name: (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone
• PubChem CID: 146068230
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone
• SMILES: Cc1cnc(C(=O)N2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)cn1
• InChI: InChI=1S/C22H28N6O3/c1-15-12-24-17(13-23-15)20(29)28-9-5-22(6-10-28)11-18-16(14-31-22)19(25-26(18)2)21(30)27-7-3-4-8-27/h12-13H,3-11,14H2,1-2H3
• InChIKey: CLGVVFCCGIODJT-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 93.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone?

The IUPAC name of (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone (CID 146068230) is (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone.

What is the SMILES notation for (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone?

The canonical SMILES for (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone is Cc1cnc(C(=O)N2CCC3(CC2)Cc2c(c(C(=O)N4CCCC4)nn2C)CO3)cn1.

What is the InChIKey of (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone?

The InChIKey is CLGVVFCCGIODJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-15-12-24-17(13-23-15)20(29)28-9-5-22(6-10-28)11-18-16(14-31-22)19(25-26(18)2)21(30)27-7-3-4-8-27/h12-13H,3-11,14H2,1-2H3.

What are the key properties of (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone?

(5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone has a molecular weight of 424.51 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 146068230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).