(2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

C25H26N4O3 — CID 166964325

About (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

(2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 166964325) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 166964325
• Molecular Formula: C25H26N4O3
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.20
• IUPAC Name: (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC1(C)C2[C@@H](C(=O)N[C@H](C=O)Cc3ccccc3)N(C(=O)c3cc4ccccn4n3)C[C@@H]21
• InChI: InChI=1S/C25H26N4O3/c1-25(2)19-14-28(24(32)20-13-18-10-6-7-11-29(18)27-20)22(21(19)25)23(31)26-17(15-30)12-16-8-4-3-5-9-16/h3-11,13,15,17,19,21-22H,12,14H2,1-2H3,(H,26,31)/t17-,19-,21?,22-/m0/s1
• InChIKey: MSQFUFIGQYIPEH-OFQXOLIOSA-N
• XLogP: 2.36
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 166964325) is (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC1(C)C2[C@@H](C(=O)N[C@H](C=O)Cc3ccccc3)N(C(=O)c3cc4ccccn4n3)C[C@@H]21.

What is the InChIKey of (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is MSQFUFIGQYIPEH-OFQXOLIOSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-25(2)19-14-28(24(32)20-13-18-10-6-7-11-29(18)27-20)22(21(19)25)23(31)26-17(15-30)12-16-8-4-3-5-9-16/h3-11,13,15,17,19,21-22H,12,14H2,1-2H3,(H,26,31)/t17-,19-,21?,22-/m0/s1.

What are the key properties of (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide?

(2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-(pyrazolo[1,5-a]pyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 166964325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).