1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile

C17H13N5O3 — CID 166103340

IUPAC1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2ccn(Cc3cc(-c4cccnc4)on3)c(=O)c2=O)CC1
InChIInChI=1S/C17H13N5O3/c18-11-17(3-4-17)22-7-6-21(15(23)16(22)24)10-13-8-14(25-20-13)12-2-1-5-19-9-12/h1-2,5-9H,3-4,10H2
InChIKeyIFQGGRYQMZQOJA-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.12
Rot. Bonds4

About 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile

1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile (PubChem CID 166103340) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile
PubChem CID166103340
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2ccn(Cc3cc(-c4cccnc4)on3)c(=O)c2=O)CC1
InChIInChI=1S/C17H13N5O3/c18-11-17(3-4-17)22-7-6-21(15(23)16(22)24)10-13-8-14(25-20-13)12-2-1-5-19-9-12/h1-2,5-9H,3-4,10H2
InChIKeyIFQGGRYQMZQOJA-UHFFFAOYSA-N
XLogP1.12
TPSA106.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile (CID 166103340) is 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile is N#CC1(n2ccn(Cc3cc(-c4cccnc4)on3)c(=O)c2=O)CC1.
What is the InChIKey of 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile?
The InChIKey is IFQGGRYQMZQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c18-11-17(3-4-17)22-7-6-21(15(23)16(22)24)10-13-8-14(25-20-13)12-2-1-5-19-9-12/h1-2,5-9H,3-4,10H2.
What are the key properties of 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile?
1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile has a molecular weight of 335.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dioxo-4-[(5-pyridin-3-yl-1,2-oxazol-3-yl)methyl]pyrazin-1-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 166103340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).