[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C25H32N6O — CID 136743815

IUPAC[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C1CCCC1
InChIInChI=1S/C25H32N6O/c32-23(22-18-10-3-4-11-19(18)29-30-22)31-15-7-14-25(16-31)24(26-17-8-1-2-9-17)27-20-12-5-6-13-21(20)28-25/h5-6,12-13,17,28H,1-4,7-11,14-16H2,(H,26,27)(H,29,30)/t25-/m1/s1
InChIKeyXBSRCRUEJMXLGC-RUZDIDTESA-N
MW432.57 g/mol
LogP4.14
Rot. Bonds2

About [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 136743815) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID136743815
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C1CCCC1
InChIInChI=1S/C25H32N6O/c32-23(22-18-10-3-4-11-19(18)29-30-22)31-15-7-14-25(16-31)24(26-17-8-1-2-9-17)27-20-12-5-6-13-21(20)28-25/h5-6,12-13,17,28H,1-4,7-11,14-16H2,(H,26,27)(H,29,30)/t25-/m1/s1
InChIKeyXBSRCRUEJMXLGC-RUZDIDTESA-N
XLogP4.14
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136872758
(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone
CID 136666781
1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70778672
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136730678
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
[(3S)-2-cyclopentyliminospiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 136872963
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone
CID 137239002
spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 163307990
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 16672636
spiro[azepane-4,2'-chromene]-1-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 50960991

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 136743815) is [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCC[C@]2(C1)Nc1ccccc1N/C2=N\C1CCCC1.
What is the InChIKey of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is XBSRCRUEJMXLGC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32N6O/c32-23(22-18-10-3-4-11-19(18)29-30-22)31-15-7-14-25(16-31)24(26-17-8-1-2-9-17)27-20-12-5-6-13-21(20)28-25/h5-6,12-13,17,28H,1-4,7-11,14-16H2,(H,26,27)(H,29,30)/t25-/m1/s1.
What are the key properties of [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 432.57 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 136743815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).