2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C20H16FN5O — CID 90311038

IUPAC2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESFc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1Oc1ncccn1
InChIInChI=1S/C20H16FN5O/c21-17-14(16-11-25-19-15(26-16)7-10-22-19)6-5-13(12-3-1-4-12)18(17)27-20-23-8-2-9-24-20/h2,5-12H,1,3-4H2,(H,22,25)
InChIKeyDFPRCYFUWWZDHO-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.61
Rot. Bonds4

About 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90311038) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90311038
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESFc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1Oc1ncccn1
InChIInChI=1S/C20H16FN5O/c21-17-14(16-11-25-19-15(26-16)7-10-22-19)6-5-13(12-3-1-4-12)18(17)27-20-23-8-2-9-24-20/h2,5-12H,1,3-4H2,(H,22,25)
InChIKeyDFPRCYFUWWZDHO-UHFFFAOYSA-N
XLogP4.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 90311038) is 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1Oc1ncccn1.
What is the InChIKey of 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is DFPRCYFUWWZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-17-14(16-11-25-19-15(26-16)7-10-22-19)6-5-13(12-3-1-4-12)18(17)27-20-23-8-2-9-24-20/h2,5-12H,1,3-4H2,(H,22,25).
What are the key properties of 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 361.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90311038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).