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

C20H26N6O3 — CID 146068229

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

[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 146068229) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
• PubChem CID: 146068229
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
• SMILES: Cn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C(=O)c3ccn[nH]3)CC1)OC2
• InChI: InChI=1S/C20H26N6O3/c1-24-16-12-20(5-10-26(11-6-20)18(27)15-4-7-21-22-15)29-13-14(16)17(23-24)19(28)25-8-2-3-9-25/h4,7H,2-3,5-6,8-13H2,1H3,(H,21,22)
• InChIKey: PGPBRCMTFPYPEO-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 96.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone (CID 146068229) is [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone.

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

The canonical SMILES for [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone is Cn1nc(C(=O)N2CCCC2)c2c1CC1(CCN(C(=O)c3ccn[nH]3)CC1)OC2.

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

The InChIKey is PGPBRCMTFPYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-24-16-12-20(5-10-26(11-6-20)18(27)15-4-7-21-22-15)29-13-14(16)17(23-24)19(28)25-8-2-3-9-25/h4,7H,2-3,5-6,8-13H2,1H3,(H,21,22).

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

[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 398.47 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 146068229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).