(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

C25H30N6O — CID 136730753

IUPAC(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C25H30N6O/c32-24(28-20-11-10-17-5-3-6-18(17)15-20)31-14-12-25(16-31)23(27-19-7-1-2-8-19)29-22-21(30-25)9-4-13-26-22/h4,9-11,13,15,19,30H,1-3,5-8,12,14,16H2,(H,28,32)(H,26,27,29)/t25-/m0/s1
InChIKeyTURRDHKZTDKVEG-VWLOTQADSA-N
MW430.56 g/mol
LogP4.43
Rot. Bonds2

About (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 136730753) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID136730753
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C25H30N6O/c32-24(28-20-11-10-17-5-3-6-18(17)15-20)31-14-12-25(16-31)23(27-19-7-1-2-8-19)29-22-21(30-25)9-4-13-26-22/h4,9-11,13,15,19,30H,1-3,5-8,12,14,16H2,(H,28,32)(H,26,27,29)/t25-/m0/s1
InChIKeyTURRDHKZTDKVEG-VWLOTQADSA-N
XLogP4.43
TPSA81.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.43
H-Bond Donors ≤ 53
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 (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (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) is (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide is O=C(Nc1ccc2c(c1)CCC2)N1CC[C@@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1.
What is the InChIKey of (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is TURRDHKZTDKVEG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30N6O/c32-24(28-20-11-10-17-5-3-6-18(17)15-20)31-14-12-25(16-31)23(27-19-7-1-2-8-19)29-22-21(30-25)9-4-13-26-22/h4,9-11,13,15,19,30H,1-3,5-8,12,14,16H2,(H,28,32)(H,26,27,29)/t25-/m0/s1.
What are the key properties of (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
(2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 136730753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).