5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one

C19H23N5O3 — CID 24983749

IUPAC5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cn1
InChIInChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-13(9-20-15)14-10-21-16-17(22-14)24(18(25)23-16)11-12-5-7-27-8-6-12/h3-4,9-10,12,26H,5-8,11H2,1-2H3,(H,21,23,25)
InChIKeyWVFYKPHMSAZPQO-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.84
Rot. Bonds4

About 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one

5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24983749) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24983749
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cn1
InChIInChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-13(9-20-15)14-10-21-16-17(22-14)24(18(25)23-16)11-12-5-7-27-8-6-12/h3-4,9-10,12,26H,5-8,11H2,1-2H3,(H,21,23,25)
InChIKeyWVFYKPHMSAZPQO-UHFFFAOYSA-N
XLogP1.84
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 24983749) is 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cn1.
What is the InChIKey of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is WVFYKPHMSAZPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-13(9-20-15)14-10-21-16-17(22-14)24(18(25)23-16)11-12-5-7-27-8-6-12/h3-4,9-10,12,26H,5-8,11H2,1-2H3,(H,21,23,25).
What are the key properties of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 369.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24983749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).