8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine

C21H18N4O3 — CID 171535640

IUPAC8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine
SMILESCOc1ccc(-c2c(-c3ccc([N+](=O)[O-])cc3)c(C)n3ccnc(N)c23)cc1
InChIInChI=1S/C21H18N4O3/c1-13-18(14-3-7-16(8-4-14)25(26)27)19(15-5-9-17(28-2)10-6-15)20-21(22)23-11-12-24(13)20/h3-12H,1-2H3,(H2,22,23)
InChIKeyXTHVMCOPXIHZDN-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.48
Rot. Bonds4

About 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine

8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 171535640) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID171535640
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine
SMILESCOc1ccc(-c2c(-c3ccc([N+](=O)[O-])cc3)c(C)n3ccnc(N)c23)cc1
InChIInChI=1S/C21H18N4O3/c1-13-18(14-3-7-16(8-4-14)25(26)27)19(15-5-9-17(28-2)10-6-15)20-21(22)23-11-12-24(13)20/h3-12H,1-2H3,(H2,22,23)
InChIKeyXTHVMCOPXIHZDN-UHFFFAOYSA-N
XLogP4.48
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;6-methyl-7-[4-(methylamino)phenyl]-8-(4-pyrimidin-2-yloxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine;prop-2-enal
CID 171535734
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine
CID 14269277
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
5,15-bis(4-methoxyphenyl)-10,20-bis(4-nitrophenyl)-21,23-dihydroporphyrin
CID 135496782
methyl 2-[2-(4-nitrophenyl)imidazol-1-yl]propanoate
CID 82561246
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
CID 102257808
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064
ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 76849694

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine (CID 171535640) is 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine is COc1ccc(-c2c(-c3ccc([N+](=O)[O-])cc3)c(C)n3ccnc(N)c23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is XTHVMCOPXIHZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-18(14-3-7-16(8-4-14)25(26)27)19(15-5-9-17(28-2)10-6-15)20-21(22)23-11-12-24(13)20/h3-12H,1-2H3,(H2,22,23).
What are the key properties of 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine?
8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 374.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-6-methyl-7-(4-nitrophenyl)pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 171535640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).