N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

C19H23N7O2 — CID 24768402

IUPACN-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)o1
InChIInChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27)
InChIKeyRSJQVIXBHCEQHV-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 24768402) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID24768402
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)o1
InChIInChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27)
InChIKeyRSJQVIXBHCEQHV-UHFFFAOYSA-N
XLogP1.42
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 24768402) is N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-n3cccn3)n2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is RSJQVIXBHCEQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-14-4-5-15(28-14)19-22-16(12-17(23-19)26-7-3-6-20-26)21-18(27)13-25-10-8-24(2)9-11-25/h3-7,12H,8-11,13H2,1-2H3,(H,21,22,23,27).
What are the key properties of N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24768402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).