N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide

C24H23N5O4 — CID 87758337

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(C=O)c1
InChIInChI=1S/C24H23N5O4/c1-14-5-7-19(18(9-14)12-30)32-13-23(31)25-21-11-22(29-16(3)10-15(2)28-29)27-24(26-21)20-8-6-17(4)33-20/h5-12H,13H2,1-4H3,(H,25,26,27,31)
InChIKeyIVDPOYXJXFBDPN-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.99
Rot. Bonds7

About N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide (PubChem CID 87758337) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide
PubChem CID87758337
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(C=O)c1
InChIInChI=1S/C24H23N5O4/c1-14-5-7-19(18(9-14)12-30)32-13-23(31)25-21-11-22(29-16(3)10-15(2)28-29)27-24(26-21)20-8-6-17(4)33-20/h5-12H,13H2,1-4H3,(H,25,26,27,31)
InChIKeyIVDPOYXJXFBDPN-UHFFFAOYSA-N
XLogP3.99
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide (CID 87758337) is N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c(C=O)c1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide?
The InChIKey is IVDPOYXJXFBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14-5-7-19(18(9-14)12-30)32-13-23(31)25-21-11-22(29-16(3)10-15(2)28-29)27-24(26-21)20-8-6-17(4)33-20/h5-12H,13H2,1-4H3,(H,25,26,27,31).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide has a molecular weight of 445.48 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 87758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).