[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone

C25H30N4O2 — CID 45197321

About [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone

[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone (PubChem CID 45197321) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone.

Molecular Properties

• Compound Name: [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
• PubChem CID: 45197321
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
• SMILES: COc1cccc(CN2CCCC3(CCN(C(=O)c4n[nH]c5ccc(C)cc45)C3)C2)c1
• InChI: InChI=1S/C25H30N4O2/c1-18-7-8-22-21(13-18)23(27-26-22)24(30)29-12-10-25(17-29)9-4-11-28(16-25)15-19-5-3-6-20(14-19)31-2/h3,5-8,13-14H,4,9-12,15-17H2,1-2H3,(H,26,27)
• InChIKey: UYRHFLSOFWRRAY-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone?

The IUPAC name of [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone (CID 45197321) is [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone.

What is the SMILES notation for [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone?

The canonical SMILES for [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone is COc1cccc(CN2CCCC3(CCN(C(=O)c4n[nH]c5ccc(C)cc45)C3)C2)c1.

What is the InChIKey of [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone?

The InChIKey is UYRHFLSOFWRRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-7-8-22-21(13-18)23(27-26-22)24(30)29-12-10-25(17-29)9-4-11-28(16-25)15-19-5-3-6-20(14-19)31-2/h3,5-8,13-14H,4,9-12,15-17H2,1-2H3,(H,26,27).

What are the key properties of [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone?

[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone has a molecular weight of 418.54 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone is sourced from PubChem (CID 45197321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).