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

C14H15N5O — CID 126474949

IUPAC1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2nc(-c3cccnc3)cnc21
InChIInChI=1S/C14H15N5O/c1-9(2)8-19-13-12(18-14(19)20)17-11(7-16-13)10-4-3-5-15-6-10/h3-7,9H,8H2,1-2H3,(H,17,18,20)
InChIKeyHFAJZHSENXEIHK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.84
Rot. Bonds3

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

1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126474949) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126474949
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2nc(-c3cccnc3)cnc21
InChIInChI=1S/C14H15N5O/c1-9(2)8-19-13-12(18-14(19)20)17-11(7-16-13)10-4-3-5-15-6-10/h3-7,9H,8H2,1-2H3,(H,17,18,20)
InChIKeyHFAJZHSENXEIHK-UHFFFAOYSA-N
XLogP1.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one (CID 126474949) is 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one is CC(C)Cn1c(=O)[nH]c2nc(-c3cccnc3)cnc21.
What is the InChIKey of 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is HFAJZHSENXEIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(2)8-19-13-12(18-14(19)20)17-11(7-16-13)10-4-3-5-15-6-10/h3-7,9H,8H2,1-2H3,(H,17,18,20).
What are the key properties of 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one?
1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126474949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).