[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone

C22H29N7O — CID 137239002

About [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone

[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 137239002) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone
• PubChem CID: 137239002
• Molecular Formula: C22H29N7O
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.24
• IUPAC Name: [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone
• SMILES: CCn1nccc1C(=O)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
• InChI: InChI=1S/C22H29N7O/c1-2-29-18(10-13-24-29)20(30)28-14-6-11-22(15-28)21(25-16-7-3-4-8-16)26-19-17(27-22)9-5-12-23-19/h5,9-10,12-13,16,27H,2-4,6-8,11,14-15H2,1H3,(H,23,25,26)/t22-/m0/s1
• InChIKey: AYPRAXXDVKCCDO-QFIPXVFZSA-N
• XLogP: 3.15
• TPSA: 87.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone?

The IUPAC name of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone (CID 137239002) is [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone.

What is the SMILES notation for [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone?

The canonical SMILES for [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1.

What is the InChIKey of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone?

The InChIKey is AYPRAXXDVKCCDO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29N7O/c1-2-29-18(10-13-24-29)20(30)28-14-6-11-22(15-28)21(25-16-7-3-4-8-16)26-19-17(27-22)9-5-12-23-19/h5,9-10,12-13,16,27H,2-4,6-8,11,14-15H2,1H3,(H,23,25,26)/t22-/m0/s1.

What are the key properties of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone?

[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 407.52 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 137239002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).