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

C17H17N3O — CID 6538789

IUPAC7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2[nH]c3nccnc3c2CC2CC2)cc1
InChIInChI=1S/C17H17N3O/c1-21-13-6-4-12(5-7-13)15-14(10-11-2-3-11)16-17(20-15)19-9-8-18-16/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKeyJREMEPDATDYPDA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.59
Rot. Bonds4

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

7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538789) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538789
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2[nH]c3nccnc3c2CC2CC2)cc1
InChIInChI=1S/C17H17N3O/c1-21-13-6-4-12(5-7-13)15-14(10-11-2-3-11)16-17(20-15)19-9-8-18-16/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKeyJREMEPDATDYPDA-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538789) is 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is COc1ccc(-c2[nH]c3nccnc3c2CC2CC2)cc1.
What is the InChIKey of 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is JREMEPDATDYPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-13-6-4-12(5-7-13)15-14(10-11-2-3-11)16-17(20-15)19-9-8-18-16/h4-9,11H,2-3,10H2,1H3,(H,19,20).
What are the key properties of 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 279.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).