1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone

C21H25N5O3 — CID 167777329

About 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone

1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone (PubChem CID 167777329) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone
• PubChem CID: 167777329
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone
• SMILES: CCn1cc2c(n1)C(O)CC1(CCN(C(=O)Cc3[nH]nc4ccccc34)CC1)O2
• InChI: InChI=1S/C21H25N5O3/c1-2-26-13-18-20(24-26)17(27)12-21(29-18)7-9-25(10-8-21)19(28)11-16-14-5-3-4-6-15(14)22-23-16/h3-6,13,17,27H,2,7-12H2,1H3,(H,22,23)
• InChIKey: XGTXBTUMQCBVDF-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 96.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone?

The IUPAC name of 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone (CID 167777329) is 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone.

What is the SMILES notation for 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone?

The canonical SMILES for 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone is CCn1cc2c(n1)C(O)CC1(CCN(C(=O)Cc3[nH]nc4ccccc34)CC1)O2.

What is the InChIKey of 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone?

The InChIKey is XGTXBTUMQCBVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-2-26-13-18-20(24-26)17(27)12-21(29-18)7-9-25(10-8-21)19(28)11-16-14-5-3-4-6-15(14)22-23-16/h3-6,13,17,27H,2,7-12H2,1H3,(H,22,23).

What are the key properties of 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone?

1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone has a molecular weight of 395.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone is sourced from PubChem (CID 167777329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).