5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one

C20H15N5O2 — CID 135891295

IUPAC5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCc1cc2cc(-n3c(=O)[nH]c4ncc(-c5ccc(O)cc5)nc43)ccc2[nH]1
InChIInChI=1S/C20H15N5O2/c1-11-8-13-9-14(4-7-16(13)22-11)25-19-18(24-20(25)27)21-10-17(23-19)12-2-5-15(26)6-3-12/h2-10,22,26H,1H3,(H,21,24,27)
InChIKeyCMAOZSCSXFTWNO-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.27
Rot. Bonds2

About 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one

5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 135891295) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID135891295
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCc1cc2cc(-n3c(=O)[nH]c4ncc(-c5ccc(O)cc5)nc43)ccc2[nH]1
InChIInChI=1S/C20H15N5O2/c1-11-8-13-9-14(4-7-16(13)22-11)25-19-18(24-20(25)27)21-10-17(23-19)12-2-5-15(26)6-3-12/h2-10,22,26H,1H3,(H,21,24,27)
InChIKeyCMAOZSCSXFTWNO-UHFFFAOYSA-N
XLogP3.27
TPSA99.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 135891295) is 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one is Cc1cc2cc(-n3c(=O)[nH]c4ncc(-c5ccc(O)cc5)nc43)ccc2[nH]1.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is CMAOZSCSXFTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-8-13-9-14(4-7-16(13)22-11)25-19-18(24-20(25)27)21-10-17(23-19)12-2-5-15(26)6-3-12/h2-10,22,26H,1H3,(H,21,24,27).
What are the key properties of 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 357.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 135891295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).