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

C20H25N5O3 — CID 24983588

IUPAC5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CCC4CCOCC4)c3n2)cn1
InChIInChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(11-21-16)15-12-22-17-18(23-15)25(19(26)24-17)8-5-13-6-9-28-10-7-13/h3-4,11-13,27H,5-10H2,1-2H3,(H,22,24,26)
InChIKeyONDJQRZDLSDOJA-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.23
Rot. Bonds5

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

5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24983588) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24983588
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CCC4CCOCC4)c3n2)cn1
InChIInChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(11-21-16)15-12-22-17-18(23-15)25(19(26)24-17)8-5-13-6-9-28-10-7-13/h3-4,11-13,27H,5-10H2,1-2H3,(H,22,24,26)
InChIKeyONDJQRZDLSDOJA-UHFFFAOYSA-N
XLogP2.23
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.23
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-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24983588) is 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CCC4CCOCC4)c3n2)cn1.
What is the InChIKey of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is ONDJQRZDLSDOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,27)16-4-3-14(11-21-16)15-12-22-17-18(23-15)25(19(26)24-17)8-5-13-6-9-28-10-7-13/h3-4,11-13,27H,5-10H2,1-2H3,(H,22,24,26).
What are the key properties of 5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 383.45 g/mol, XLogP of 2.23, 5 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-[2-(oxan-4-yl)ethyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).