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

C19H19N5O2 — CID 24984057

IUPAC5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc4[nH]ccc4c3)nc2n1CC1CCOCC1
InChIInChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25)
InChIKeyJPMOMDVUKVSFMP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.69
Rot. Bonds3

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

5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24984057) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24984057
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc4[nH]ccc4c3)nc2n1CC1CCOCC1
InChIInChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25)
InChIKeyJPMOMDVUKVSFMP-UHFFFAOYSA-N
XLogP2.69
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 24984057) is 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc4[nH]ccc4c3)nc2n1CC1CCOCC1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is JPMOMDVUKVSFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19-23-17-18(24(19)11-12-4-7-26-8-5-12)22-16(10-21-17)13-1-2-15-14(9-13)3-6-20-15/h1-3,6,9-10,12,20H,4-5,7-8,11H2,(H,21,23,25).
What are the key properties of 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-(oxan-4-ylmethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24984057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).