[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone

C23H27N5O — CID 136730678

IUPAC[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C23H27N5O/c29-21(17-8-2-1-3-9-17)28-15-7-13-23(16-28)22(25-18-10-4-5-11-18)26-20-19(27-23)12-6-14-24-20/h1-3,6,8-9,12,14,18,27H,4-5,7,10-11,13,15-16H2,(H,24,25,26)/t23-/m1/s1
InChIKeyOQNWNKONXIJLOY-HSZRJFAPSA-N
MW389.50 g/mol
LogP3.94
Rot. Bonds2

About [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone

[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone (PubChem CID 136730678) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
PubChem CID136730678
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C23H27N5O/c29-21(17-8-2-1-3-9-17)28-15-7-13-23(16-28)22(25-18-10-4-5-11-18)26-20-19(27-23)12-6-14-24-20/h1-3,6,8-9,12,14,18,27H,4-5,7,10-11,13,15-16H2,(H,24,25,26)/t23-/m1/s1
InChIKeyOQNWNKONXIJLOY-HSZRJFAPSA-N
XLogP3.94
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone?
The IUPAC name of [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone (CID 136730678) is [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone?
The canonical SMILES for [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1.
What is the InChIKey of [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone?
The InChIKey is OQNWNKONXIJLOY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N5O/c29-21(17-8-2-1-3-9-17)28-15-7-13-23(16-28)22(25-18-10-4-5-11-18)26-20-19(27-23)12-6-14-24-20/h1-3,6,8-9,12,14,18,27H,4-5,7,10-11,13,15-16H2,(H,24,25,26)/t23-/m1/s1.
What are the key properties of [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone?
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone has a molecular weight of 389.50 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone is sourced from PubChem (CID 136730678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).