5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one

C20H20N6O2 — CID 57394326

IUPAC5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4cnc[nH]4)cc3)nc2n1CC1CCOCC1
InChIInChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)11-13-5-7-28-8-6-13)24-17(10-22-18)15-3-1-14(2-4-15)16-9-21-12-23-16/h1-4,9-10,12-13H,5-8,11H2,(H,21,23)(H,22,25,27)
InChIKeyKIRZMVRUIYRWFN-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.60
Rot. Bonds4

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

5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57394326) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57394326
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4cnc[nH]4)cc3)nc2n1CC1CCOCC1
InChIInChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)11-13-5-7-28-8-6-13)24-17(10-22-18)15-3-1-14(2-4-15)16-9-21-12-23-16/h1-4,9-10,12-13H,5-8,11H2,(H,21,23)(H,22,25,27)
InChIKeyKIRZMVRUIYRWFN-UHFFFAOYSA-N
XLogP2.60
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 57394326) is 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-c4cnc[nH]4)cc3)nc2n1CC1CCOCC1.
What is the InChIKey of 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is KIRZMVRUIYRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20-25-18-19(26(20)11-13-5-7-28-8-6-13)24-17(10-22-18)15-3-1-14(2-4-15)16-9-21-12-23-16/h1-4,9-10,12-13H,5-8,11H2,(H,21,23)(H,22,25,27).
What are the key properties of 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 376.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazol-5-yl)phenyl]-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57394326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).