7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C20H25N3O — CID 6538788

IUPAC7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCCCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12
InChIInChI=1S/C20H25N3O/c1-3-4-5-6-7-8-17-18(15-9-11-16(24-2)12-10-15)23-20-19(17)21-13-14-22-20/h9-14H,3-8H2,1-2H3,(H,22,23)
InChIKeyOCQOWMWCDNLMCO-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.15
Rot. Bonds8

About 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538788) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538788
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCCCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12
InChIInChI=1S/C20H25N3O/c1-3-4-5-6-7-8-17-18(15-9-11-16(24-2)12-10-15)23-20-19(17)21-13-14-22-20/h9-14H,3-8H2,1-2H3,(H,22,23)
InChIKeyOCQOWMWCDNLMCO-UHFFFAOYSA-N
XLogP5.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pki-166
CID 6918403
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Byk-191023
CID 10308091
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
RP107
CID 448912
Meriolin 3
CID 23727981
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519

Frequently Asked Questions

What is the IUPAC name of 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538788) is 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is CCCCCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12.
What is the InChIKey of 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is OCQOWMWCDNLMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-4-5-6-7-8-17-18(15-9-11-16(24-2)12-10-15)23-20-19(17)21-13-14-22-20/h9-14H,3-8H2,1-2H3,(H,22,23).
What are the key properties of 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 323.44 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).