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

C21H17N5O4 — CID 135891286

IUPAC5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5[nH]ccc5c4)c3n2)cc(OC)c1O
InChIInChI=1S/C21H17N5O4/c1-29-16-8-12(9-17(30-2)18(16)27)15-10-23-19-20(24-15)26(21(28)25-19)13-3-4-14-11(7-13)5-6-22-14/h3-10,22,27H,1-2H3,(H,23,25,28)
InChIKeyHIELPDVRCJWXGZ-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.98
Rot. Bonds4

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

5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 135891286) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID135891286
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5[nH]ccc5c4)c3n2)cc(OC)c1O
InChIInChI=1S/C21H17N5O4/c1-29-16-8-12(9-17(30-2)18(16)27)15-10-23-19-20(24-15)26(21(28)25-19)13-3-4-14-11(7-13)5-6-22-14/h3-10,22,27H,1-2H3,(H,23,25,28)
InChIKeyHIELPDVRCJWXGZ-UHFFFAOYSA-N
XLogP2.98
TPSA118.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 135891286) is 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5[nH]ccc5c4)c3n2)cc(OC)c1O.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is HIELPDVRCJWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-29-16-8-12(9-17(30-2)18(16)27)15-10-23-19-20(24-15)26(21(28)25-19)13-3-4-14-11(7-13)5-6-22-14/h3-10,22,27H,1-2H3,(H,23,25,28).
What are the key properties of 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 403.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 135891286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).