5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine

C25H28N8O2 — CID 77193083

IUPAC5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(C5CCOCC5)c4)n3)C3CC3)cn2)cn1
InChIInChI=1S/C25H28N8O2/c1-25(17-3-4-17,18-5-6-20(27-12-18)21-13-29-22(26-2)14-28-21)24-31-23(35-32-24)16-11-30-33(15-16)19-7-9-34-10-8-19/h5-6,11-15,17,19H,3-4,7-10H2,1-2H3,(H,26,29)
InChIKeyGFLZPKZGZWKIQZ-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.89
Rot. Bonds7

About 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine

5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine (PubChem CID 77193083) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine
PubChem CID77193083
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(C5CCOCC5)c4)n3)C3CC3)cn2)cn1
InChIInChI=1S/C25H28N8O2/c1-25(17-3-4-17,18-5-6-20(27-12-18)21-13-29-22(26-2)14-28-21)24-31-23(35-32-24)16-11-30-33(15-16)19-7-9-34-10-8-19/h5-6,11-15,17,19H,3-4,7-10H2,1-2H3,(H,26,29)
InChIKeyGFLZPKZGZWKIQZ-UHFFFAOYSA-N
XLogP3.89
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine (CID 77193083) is 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine is CNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(C5CCOCC5)c4)n3)C3CC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine?
The InChIKey is GFLZPKZGZWKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-25(17-3-4-17,18-5-6-20(27-12-18)21-13-29-22(26-2)14-28-21)24-31-23(35-32-24)16-11-30-33(15-16)19-7-9-34-10-8-19/h5-6,11-15,17,19H,3-4,7-10H2,1-2H3,(H,26,29).
What are the key properties of 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine?
5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine has a molecular weight of 472.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 77193083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).