N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C27H26N6O3 — CID 122310528

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)C4CC(=O)N(c5ccccc5)C4)cc3)nc(C)n2)n1
InChIInChI=1S/C27H26N6O3/c1-17-13-18(2)33(31-17)24-15-25(29-19(3)28-24)36-23-11-9-21(10-12-23)30-27(35)20-14-26(34)32(16-20)22-7-5-4-6-8-22/h4-13,15,20H,14,16H2,1-3H3,(H,30,35)
InChIKeyMDPSIHOLBANCEY-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.37
Rot. Bonds6

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 122310528) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID122310528
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)C4CC(=O)N(c5ccccc5)C4)cc3)nc(C)n2)n1
InChIInChI=1S/C27H26N6O3/c1-17-13-18(2)33(31-17)24-15-25(29-19(3)28-24)36-23-11-9-21(10-12-23)30-27(35)20-14-26(34)32(16-20)22-7-5-4-6-8-22/h4-13,15,20H,14,16H2,1-3H3,(H,30,35)
InChIKeyMDPSIHOLBANCEY-UHFFFAOYSA-N
XLogP4.37
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122310531
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122305572
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122311663
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122305571
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]cyclohexanecarboxamide
CID 122310332
1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 122311667
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122300460
1-(2-chlorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]urea
CID 122310417
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
CID 122310503
(3R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1154558
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 122310528) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)C4CC(=O)N(c5ccccc5)C4)cc3)nc(C)n2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is MDPSIHOLBANCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-17-13-18(2)33(31-17)24-15-25(29-19(3)28-24)36-23-11-9-21(10-12-23)30-27(35)20-14-26(34)32(16-20)22-7-5-4-6-8-22/h4-13,15,20H,14,16H2,1-3H3,(H,30,35).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 122310528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).