(2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

C20H26N6 — CID 129465993

About (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

(2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 129465993) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 129465993
• Molecular Formula: C20H26N6
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.22
• IUPAC Name: (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• SMILES: Cn1ccnc1CN(Cc1ccc2cn[nH]c2c1)[C@H]1CC12CCNCC2
• InChI: InChI=1S/C20H26N6/c1-25-9-8-22-19(25)14-26(18-11-20(18)4-6-21-7-5-20)13-15-2-3-16-12-23-24-17(16)10-15/h2-3,8-10,12,18,21H,4-7,11,13-14H2,1H3,(H,23,24)/t18-/m0/s1
• InChIKey: IDRYYHDBGBVLBI-SFHVURJKSA-N
• XLogP: 2.44
• TPSA: 61.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The IUPAC name of (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (CID 129465993) is (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

What is the SMILES notation for (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The canonical SMILES for (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is Cn1ccnc1CN(Cc1ccc2cn[nH]c2c1)[C@H]1CC12CCNCC2.

What is the InChIKey of (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The InChIKey is IDRYYHDBGBVLBI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N6/c1-25-9-8-22-19(25)14-26(18-11-20(18)4-6-21-7-5-20)13-15-2-3-16-12-23-24-17(16)10-15/h2-3,8-10,12,18,21H,4-7,11,13-14H2,1H3,(H,23,24)/t18-/m0/s1.

What are the key properties of (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

(2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 350.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(1H-indazol-6-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 129465993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).