(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

C24H30N6O2 — CID 136730750

IUPAC(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C24H30N6O2/c1-16-9-10-20(32-2)19(14-16)27-23(31)30-13-11-24(15-30)22(26-17-6-3-4-7-17)28-21-18(29-24)8-5-12-25-21/h5,8-10,12,14,17,29H,3-4,6-7,11,13,15H2,1-2H3,(H,27,31)(H,25,26,28)/t24-/m1/s1
InChIKeyZMSNXQPMJHDMGV-XMMPIXPASA-N
MW434.54 g/mol
LogP4.25
Rot. Bonds3

About (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide (PubChem CID 136730750) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
PubChem CID136730750
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1
InChIInChI=1S/C24H30N6O2/c1-16-9-10-20(32-2)19(14-16)27-23(31)30-13-11-24(15-30)22(26-17-6-3-4-7-17)28-21-18(29-24)8-5-12-25-21/h5,8-10,12,14,17,29H,3-4,6-7,11,13,15H2,1-2H3,(H,27,31)(H,25,26,28)/t24-/m1/s1
InChIKeyZMSNXQPMJHDMGV-XMMPIXPASA-N
XLogP4.25
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)-2-(2-methoxyphenyl)ethanone
CID 156601945
(2S)-3-tert-butylimino-N-(2,3-dihydro-1H-inden-5-yl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
CID 136730767
[(2S)-3-benzyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 136730715
(2R)-3-tert-butylimino-N-(2-methoxyphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
CID 136675150
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260
1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
CID 136666842
(3aS,6aR)-2-[(2-methoxy-5-methylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073804
7-chloro-N-(2-methoxy-5-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169684
5-[1-[(2-methoxy-5-methylphenyl)carbamoyl]piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376027
N-(2-methoxy-5-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185489
1-ethyl-N-(2-methoxy-5-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169629
N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 136512978

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide (CID 136730750) is (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide is COc1ccc(C)cc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N/C2=N\C1CCCC1.
What is the InChIKey of (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is ZMSNXQPMJHDMGV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-9-10-20(32-2)19(14-16)27-23(31)30-13-11-24(15-30)22(26-17-6-3-4-7-17)28-21-18(29-24)8-5-12-25-21/h5,8-10,12,14,17,29H,3-4,6-7,11,13,15H2,1-2H3,(H,27,31)(H,25,26,28)/t24-/m1/s1.
What are the key properties of (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide?
(2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopentylimino-N-(2-methoxy-5-methylphenyl)spiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 136730750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).