5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine

C22H24N8O2 — CID 56952457

IUPAC5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
SMILESCOCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C22H24N8O2/c1-22(15-3-4-15,16-5-6-17(24-10-16)18-11-26-19(23)12-25-18)21-28-20(32-29-21)14-9-27-30(13-14)7-8-31-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H2,23,26)/t22-/m0/s1
InChIKeyFVEFSNXQXHZVJG-QFIPXVFZSA-N
MW432.49 g/mol
LogP2.73
Rot. Bonds8

About 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine

5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 56952457) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID56952457
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
SMILESCOCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C22H24N8O2/c1-22(15-3-4-15,16-5-6-17(24-10-16)18-11-26-19(23)12-25-18)21-28-20(32-29-21)14-9-27-30(13-14)7-8-31-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H2,23,26)/t22-/m0/s1
InChIKeyFVEFSNXQXHZVJG-QFIPXVFZSA-N
XLogP2.73
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine (CID 56952457) is 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine is COCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.
What is the InChIKey of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is FVEFSNXQXHZVJG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-22(15-3-4-15,16-5-6-17(24-10-16)18-11-26-19(23)12-25-18)21-28-20(32-29-21)14-9-27-30(13-14)7-8-31-2/h5-6,9-13,15H,3-4,7-8H2,1-2H3,(H2,23,26)/t22-/m0/s1.
What are the key properties of 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?
5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 432.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 56952457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).