5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one

C19H18N4O3 — CID 137403563

IUPAC5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOC1(C)C=CC(n2c(=O)[nH]c3ncc(-c4ccc(O)cc4)nc32)=CC1
InChIInChI=1S/C19H18N4O3/c1-19(26-2)9-7-13(8-10-19)23-17-16(22-18(23)25)20-11-15(21-17)12-3-5-14(24)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,22,25)
InChIKeyIPXKMMFSMBCUNM-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.70
Rot. Bonds3

About 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one

5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 137403563) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID137403563
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOC1(C)C=CC(n2c(=O)[nH]c3ncc(-c4ccc(O)cc4)nc32)=CC1
InChIInChI=1S/C19H18N4O3/c1-19(26-2)9-7-13(8-10-19)23-17-16(22-18(23)25)20-11-15(21-17)12-3-5-14(24)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,22,25)
InChIKeyIPXKMMFSMBCUNM-UHFFFAOYSA-N
XLogP2.70
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 137403563) is 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one is COC1(C)C=CC(n2c(=O)[nH]c3ncc(-c4ccc(O)cc4)nc32)=CC1.
What is the InChIKey of 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is IPXKMMFSMBCUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-19(26-2)9-7-13(8-10-19)23-17-16(22-18(23)25)20-11-15(21-17)12-3-5-14(24)6-4-12/h3-9,11,24H,10H2,1-2H3,(H,20,22,25).
What are the key properties of 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 137403563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).