1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one

C25H27N3O3 — CID 69074460

About 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 69074460) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one
• PubChem CID: 69074460
• Molecular Formula: C25H27N3O3
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.21
• IUPAC Name: 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C(C)C)ccc2O3)cc2cn[nH]c12
• InChI: InChI=1S/C25H27N3O3/c1-15(2)17-4-5-22-20(12-17)21(29)13-25(31-22)6-8-28(9-7-25)24(30)18-10-16(3)23-19(11-18)14-26-27-23/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,26,27)
• InChIKey: VPRZOZXVHIIPTN-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one?

The IUPAC name of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 69074460) is 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one.

What is the SMILES notation for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one?

The canonical SMILES for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C(C)C)ccc2O3)cc2cn[nH]c12.

What is the InChIKey of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one?

The InChIKey is VPRZOZXVHIIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-15(2)17-4-5-22-20(12-17)21(29)13-25(31-22)6-8-28(9-7-25)24(30)18-10-16(3)23-19(11-18)14-26-27-23/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,26,27).

What are the key properties of 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one?

1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 417.51 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(7-methyl-1H-indazole-5-carbonyl)-6-propan-2-ylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 69074460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).