6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H20N8O2 — CID 165414954

IUPAC6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H20N8O2/c31-21(25-9-8-18-29-22(32-30-18)15-4-2-1-3-5-15)19-20(27-16-10-23-13-24-11-16)26-12-17(28-19)14-6-7-14/h1-5,10-14H,6-9H2,(H,25,31)(H,26,27)
InChIKeyATFSTVGKARHQSS-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.91
Rot. Bonds8

About 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165414954) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165414954
Molecular FormulaC22H20N8O2
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H20N8O2/c31-21(25-9-8-18-29-22(32-30-18)15-4-2-1-3-5-15)19-20(27-16-10-23-13-24-11-16)26-12-17(28-19)14-6-7-14/h1-5,10-14H,6-9H2,(H,25,31)(H,26,27)
InChIKeyATFSTVGKARHQSS-UHFFFAOYSA-N
XLogP2.91
TPSA131.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165414954) is 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCCc1noc(-c2ccccc2)n1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is ATFSTVGKARHQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c31-21(25-9-8-18-29-22(32-30-18)15-4-2-1-3-5-15)19-20(27-16-10-23-13-24-11-16)26-12-17(28-19)14-6-7-14/h1-5,10-14H,6-9H2,(H,25,31)(H,26,27).
What are the key properties of 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165414954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).