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

C17H17N7O2 — CID 57397841

IUPAC5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3cnc4nc[nH]c4c3)nc2n1CC1CCOCC1
InChIInChI=1S/C17H17N7O2/c25-17-23-15-16(24(17)8-10-1-3-26-4-2-10)22-13(7-19-15)11-5-12-14(18-6-11)21-9-20-12/h5-7,9-10H,1-4,8H2,(H,18,20,21)(H,19,23,25)
InChIKeyFZWCKMZSFGGKEH-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.48
Rot. Bonds3

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

5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57397841) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57397841
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3cnc4nc[nH]c4c3)nc2n1CC1CCOCC1
InChIInChI=1S/C17H17N7O2/c25-17-23-15-16(24(17)8-10-1-3-26-4-2-10)22-13(7-19-15)11-5-12-14(18-6-11)21-9-20-12/h5-7,9-10H,1-4,8H2,(H,18,20,21)(H,19,23,25)
InChIKeyFZWCKMZSFGGKEH-UHFFFAOYSA-N
XLogP1.48
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 57397841) is 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3cnc4nc[nH]c4c3)nc2n1CC1CCOCC1.
What is the InChIKey of 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is FZWCKMZSFGGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c25-17-23-15-16(24(17)8-10-1-3-26-4-2-10)22-13(7-19-15)11-5-12-14(18-6-11)21-9-20-12/h5-7,9-10H,1-4,8H2,(H,18,20,21)(H,19,23,25).
What are the key properties of 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 351.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57397841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).