[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone

C20H23N5OS — CID 136730739

IUPAC[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C20H23N5OS/c26-18(14-7-11-27-12-14)25-10-8-20(13-25)19(22-15-4-1-2-5-15)23-17-16(24-20)6-3-9-21-17/h3,6-7,9,11-12,15,24H,1-2,4-5,8,10,13H2,(H,21,22,23)/t20-/m0/s1
InChIKeyLCXABAKODRGUHC-FQEVSTJZSA-N
MW381.51 g/mol
LogP3.61
Rot. Bonds2

About [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone

[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone (PubChem CID 136730739) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone
PubChem CID136730739
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C20H23N5OS/c26-18(14-7-11-27-12-14)25-10-8-20(13-25)19(22-15-4-1-2-5-15)23-17-16(24-20)6-3-9-21-17/h3,6-7,9,11-12,15,24H,1-2,4-5,8,10,13H2,(H,21,22,23)/t20-/m0/s1
InChIKeyLCXABAKODRGUHC-FQEVSTJZSA-N
XLogP3.61
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136730678
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(4-methoxy-2-methylphenyl)methanone
CID 136730734
(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
CID 136730753
(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
CID 136730750
[(3S)-2-cyclopentyliminospiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 136872963
[(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-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
CID 136666842
[(2S)-3-benzyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 136730715
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136743815
(5S)-9-(thiophene-3-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 129395464
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone (CID 136730739) is [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1.
What is the InChIKey of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone?
The InChIKey is LCXABAKODRGUHC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N5OS/c26-18(14-7-11-27-12-14)25-10-8-20(13-25)19(22-15-4-1-2-5-15)23-17-16(24-20)6-3-9-21-17/h3,6-7,9,11-12,15,24H,1-2,4-5,8,10,13H2,(H,21,22,23)/t20-/m0/s1.
What are the key properties of [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone?
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone has a molecular weight of 381.51 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 136730739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).