2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine

C24H27N5O3 — CID 73056240

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(C5CCOCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C24H27N5O3/c1-30-20-9-16(10-21(11-20)31-2)3-4-18-14-25-24-23(27-18)12-22(28-24)17-13-26-29(15-17)19-5-7-32-8-6-19/h9-15,19H,3-8H2,1-2H3,(H,25,28)
InChIKeyYSIZDZRXICLKJS-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.98
Rot. Bonds7

About 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73056240) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73056240
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(C5CCOCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C24H27N5O3/c1-30-20-9-16(10-21(11-20)31-2)3-4-18-14-25-24-23(27-18)12-22(28-24)17-13-26-29(15-17)19-5-7-32-8-6-19/h9-15,19H,3-8H2,1-2H3,(H,25,28)
InChIKeyYSIZDZRXICLKJS-UHFFFAOYSA-N
XLogP3.98
TPSA87.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (CID 73056240) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4cnn(C5CCOCC5)c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is YSIZDZRXICLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-30-20-9-16(10-21(11-20)31-2)3-4-18-14-25-24-23(27-18)12-22(28-24)17-13-26-29(15-17)19-5-7-32-8-6-19/h9-15,19H,3-8H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 433.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73056240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).