2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

C18H16N8O — CID 122290694

IUPAC2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C18H16N8O/c27-18(12-25-9-1-7-21-25)24-15-5-3-14(4-6-15)23-16-11-17(20-13-19-16)26-10-2-8-22-26/h1-11,13H,12H2,(H,24,27)(H,19,20,23)
InChIKeyLKGBGVYJFULYJT-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.24
Rot. Bonds6

About 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 122290694) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID122290694
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESO=C(Cn1cccn1)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C18H16N8O/c27-18(12-25-9-1-7-21-25)24-15-5-3-14(4-6-15)23-16-11-17(20-13-19-16)26-10-2-8-22-26/h1-11,13H,12H2,(H,24,27)(H,19,20,23)
InChIKeyLKGBGVYJFULYJT-UHFFFAOYSA-N
XLogP2.24
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 122290694) is 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is O=C(Cn1cccn1)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is LKGBGVYJFULYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c27-18(12-25-9-1-7-21-25)24-15-5-3-14(4-6-15)23-16-11-17(20-13-19-16)26-10-2-8-22-26/h1-11,13H,12H2,(H,24,27)(H,19,20,23).
What are the key properties of 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122290694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).