2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide

C21H24N4O2 — CID 155567459

IUPAC2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cnn(C(C)C)c3)c2)ccc1C(N)=O
InChIInChI=1S/C21H24N4O2/c1-13(2)25-12-18(11-24-25)17-7-16(9-23-10-17)15-5-6-19(21(22)26)20(8-15)27-14(3)4/h5-14H,1-4H3,(H2,22,26)
InChIKeyLFEOCNIHNYNYIJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.08
Rot. Bonds6

About 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide

2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide (PubChem CID 155567459) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide
PubChem CID155567459
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cnn(C(C)C)c3)c2)ccc1C(N)=O
InChIInChI=1S/C21H24N4O2/c1-13(2)25-12-18(11-24-25)17-7-16(9-23-10-17)15-5-6-19(21(22)26)20(8-15)27-14(3)4/h5-14H,1-4H3,(H2,22,26)
InChIKeyLFEOCNIHNYNYIJ-UHFFFAOYSA-N
XLogP4.08
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide?
The IUPAC name of 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide (CID 155567459) is 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide is CC(C)Oc1cc(-c2cncc(-c3cnn(C(C)C)c3)c2)ccc1C(N)=O.
What is the InChIKey of 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide?
The InChIKey is LFEOCNIHNYNYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)25-12-18(11-24-25)17-7-16(9-23-10-17)15-5-6-19(21(22)26)20(8-15)27-14(3)4/h5-14H,1-4H3,(H2,22,26).
What are the key properties of 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide?
2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-[5-(1-propan-2-ylpyrazol-4-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 155567459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).