(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C27H31N5O2 — CID 42485071

About (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42485071) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42485071
• Molecular Formula: C27H31N5O2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.25
• IUPAC Name: (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCc3ccccn3)cc2)n1
• InChI: InChI=1S/C27H31N5O2/c1-19-17-20(2)32(30-19)23-8-6-21(7-9-23)26(34)31-15-11-27(12-16-31)18-24(27)25(33)29-14-10-22-5-3-4-13-28-22/h3-9,13,17,24H,10-12,14-16,18H2,1-2H3,(H,29,33)/t24-/m0/s1
• InChIKey: FJGUXJIQFMZDEM-DEOSSOPVSA-N
• XLogP: 3.49
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42485071) is (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCc3ccccn3)cc2)n1.

What is the InChIKey of (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is FJGUXJIQFMZDEM-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-19-17-20(2)32(30-19)23-8-6-21(7-9-23)26(34)31-15-11-27(12-16-31)18-24(27)25(33)29-14-10-22-5-3-4-13-28-22/h3-9,13,17,24H,10-12,14-16,18H2,1-2H3,(H,29,33)/t24-/m0/s1.

What are the key properties of (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?

(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42485071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).