N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C22H21N5O5 — CID 59683110

IUPACN-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O5/c1-29-16-10-14(11-17(30-2)21(16)31-3)12-20(28)24-18-13-19(27-8-5-7-23-27)26-22(25-18)15-6-4-9-32-15/h4-11,13H,12H2,1-3H3,(H,24,25,26,28)
InChIKeyUASUDBAYXCSOEM-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 59683110) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID59683110
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC NameN-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O5/c1-29-16-10-14(11-17(30-2)21(16)31-3)12-20(28)24-18-13-19(27-8-5-7-23-27)26-22(25-18)15-6-4-9-32-15/h4-11,13H,12H2,1-3H3,(H,24,25,26,28)
InChIKeyUASUDBAYXCSOEM-UHFFFAOYSA-N
XLogP3.13
TPSA113.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 59683110) is N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cc(-n3cccn3)nc(-c3ccco3)n2)cc(OC)c1OC.
What is the InChIKey of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is UASUDBAYXCSOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-29-16-10-14(11-17(30-2)21(16)31-3)12-20(28)24-18-13-19(27-8-5-7-23-27)26-22(25-18)15-6-4-9-32-15/h4-11,13H,12H2,1-3H3,(H,24,25,26,28).
What are the key properties of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 435.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 59683110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).