5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one

C20H24N4O3 — CID 66699805

IUPAC5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(C3CCCOC3)c2n1
InChIInChI=1S/C20H24N4O3/c1-12(2)13-6-7-17(26-3)15(9-13)16-10-21-18-19(22-16)24(20(25)23-18)14-5-4-8-27-11-14/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,21,23,25)
InChIKeyQIFAYNJRYMIRJN-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.27
Rot. Bonds4

About 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one

5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699805) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699805
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(C3CCCOC3)c2n1
InChIInChI=1S/C20H24N4O3/c1-12(2)13-6-7-17(26-3)15(9-13)16-10-21-18-19(22-16)24(20(25)23-18)14-5-4-8-27-11-14/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,21,23,25)
InChIKeyQIFAYNJRYMIRJN-UHFFFAOYSA-N
XLogP3.27
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66699805) is 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)C)cc1-c1cnc2[nH]c(=O)n(C3CCCOC3)c2n1.
What is the InChIKey of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is QIFAYNJRYMIRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)13-6-7-17(26-3)15(9-13)16-10-21-18-19(22-16)24(20(25)23-18)14-5-4-8-27-11-14/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,21,23,25).
What are the key properties of 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 368.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-propan-2-ylphenyl)-3-(oxan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).