3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one

C20H14N4O2 — CID 147770057

IUPAC3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one
SMILESO=C1Cc2ncc(-c3cccc(O)c3)nc2N1c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H14N4O2/c25-15-3-1-2-12(9-15)18-11-22-17-10-19(26)24(20(17)23-18)14-4-5-16-13(8-14)6-7-21-16/h1-9,11,21,25H,10H2
InChIKeyHFTDFHXPBLAARC-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one

3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one (PubChem CID 147770057) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one
PubChem CID147770057
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one
SMILESO=C1Cc2ncc(-c3cccc(O)c3)nc2N1c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H14N4O2/c25-15-3-1-2-12(9-15)18-11-22-17-10-19(26)24(20(17)23-18)14-4-5-16-13(8-14)6-7-21-16/h1-9,11,21,25H,10H2
InChIKeyHFTDFHXPBLAARC-UHFFFAOYSA-N
XLogP3.55
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one?
The IUPAC name of 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one (CID 147770057) is 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one is O=C1Cc2ncc(-c3cccc(O)c3)nc2N1c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one?
The InChIKey is HFTDFHXPBLAARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-15-3-1-2-12(9-15)18-11-22-17-10-19(26)24(20(17)23-18)14-4-5-16-13(8-14)6-7-21-16/h1-9,11,21,25H,10H2.
What are the key properties of 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one?
3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one has a molecular weight of 342.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-5-(1H-indol-5-yl)-7H-pyrrolo[2,3-b]pyrazin-6-one is sourced from PubChem (CID 147770057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).