5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C22H26N8O2 — CID 56953051

IUPAC5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
InChIInChI=1S/C22H26N8O2/c1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4/h5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26)
InChIKeyUGGLOFHAYGKIDD-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.98
Rot. Bonds8

About 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56953051) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56953051
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
InChIInChI=1S/C22H26N8O2/c1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4/h5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26)
InChIKeyUGGLOFHAYGKIDD-UHFFFAOYSA-N
XLogP2.98
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 56953051) is 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine is COCCn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.
What is the InChIKey of 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is UGGLOFHAYGKIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4/h5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26).
What are the key properties of 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 434.50 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56953051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).