5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine

C22H22N4O — CID 56984308

IUPAC5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine
SMILESCCCCOc1[nH]c(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C22H22N4O/c1-2-3-14-27-22-20-19(21(23)26-22)24-17(15-10-6-4-7-11-15)18(25-20)16-12-8-5-9-13-16/h4-13,26H,2-3,14,23H2,1H3
InChIKeyYOMRSLZQVNTFET-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.05
Rot. Bonds6

About 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine

5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine (PubChem CID 56984308) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine.

Molecular Properties

Compound Name5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine
PubChem CID56984308
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine
SMILESCCCCOc1[nH]c(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C22H22N4O/c1-2-3-14-27-22-20-19(21(23)26-22)24-17(15-10-6-4-7-11-15)18(25-20)16-12-8-5-9-13-16/h4-13,26H,2-3,14,23H2,1H3
InChIKeyYOMRSLZQVNTFET-UHFFFAOYSA-N
XLogP5.05
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine
CID 57164551
2,3-diphenyl-5-propoxy-6H-pyrrolo[3,4-b]pyrazin-1-ium-7-amine
CID 123753396
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine
CID 70689163
ethyl 4-butoxy-3-phenyl-1H-pyrazole-5-carboxylate
CID 70245232
4-[2-(5-ethyl-4-phenyl-1,3-oxazol-2-yl)ethoxy]aniline
CID 14009974
5-(4-hexylphenyl)-4-phenyl-1H-imidazol-2-amine;hydrochloride
CID 70689162
2,6-dibutoxypyridine
CID 67437244
5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline
CID 59718125
1-pentoxy-4-phenylbenzene
CID 7021155
2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
2-butoxy-5-phenylaniline
CID 54853554

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine?
The IUPAC name of 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine (CID 56984308) is 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine.
What is the SMILES notation for 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine?
The canonical SMILES for 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine is CCCCOc1[nH]c(N)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine?
The InChIKey is YOMRSLZQVNTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-3-14-27-22-20-19(21(23)26-22)24-17(15-10-6-4-7-11-15)18(25-20)16-12-8-5-9-13-16/h4-13,26H,2-3,14,23H2,1H3.
What are the key properties of 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine?
5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine has a molecular weight of 358.44 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2,3-diphenyl-6H-pyrrolo[3,4-b]pyrazin-7-amine is sourced from PubChem (CID 56984308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).