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

C31H33N5O — CID 26353127

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

(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 26353127) has the molecular formula C31H33N5O and a molecular weight of 491.64 g/mol. Its IUPAC name is (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 26353127
• Molecular Formula: C31H33N5O
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.27
• IUPAC Name: (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: O=C(NCCc1ccccn1)[C@@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2
• InChI: InChI=1S/C31H33N5O/c37-30(33-18-14-26-11-7-8-17-32-26)28-21-31(28)15-19-35(20-16-31)22-25-23-36(27-12-5-2-6-13-27)34-29(25)24-9-3-1-4-10-24/h1-13,17,23,28H,14-16,18-22H2,(H,33,37)/t28-/m0/s1
• InChIKey: CAKGXSCHAUFTSI-NDEPHWFRSA-N
• XLogP: 4.90
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 26353127) is (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

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

The canonical SMILES for (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCc1ccccn1)[C@@H]1CC12CCN(Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2.

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

The InChIKey is CAKGXSCHAUFTSI-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H33N5O/c37-30(33-18-14-26-11-7-8-17-32-26)28-21-31(28)15-19-35(20-16-31)22-25-23-36(27-12-5-2-6-13-27)34-29(25)24-9-3-1-4-10-24/h1-13,17,23,28H,14-16,18-22H2,(H,33,37)/t28-/m0/s1.

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

(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 26353127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).