N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide

C23H28N6O2 — CID 44589944

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OC3CCN(C)CC3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C23H28N6O2/c1-15-12-16(2)29(27-15)23-25-21(14-22(26-23)24-17(3)30)18-6-5-7-20(13-18)31-19-8-10-28(4)11-9-19/h5-7,12-14,19H,8-11H2,1-4H3,(H,24,25,26,30)
InChIKeySUAVPMVHEWSQAQ-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide (PubChem CID 44589944) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide
PubChem CID44589944
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OC3CCN(C)CC3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C23H28N6O2/c1-15-12-16(2)29(27-15)23-25-21(14-22(26-23)24-17(3)30)18-6-5-7-20(13-18)31-19-8-10-28(4)11-9-19/h5-7,12-14,19H,8-11H2,1-4H3,(H,24,25,26,30)
InChIKeySUAVPMVHEWSQAQ-UHFFFAOYSA-N
XLogP3.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide (CID 44589944) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(OC3CCN(C)CC3)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The InChIKey is SUAVPMVHEWSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-12-16(2)29(27-15)23-25-21(14-22(26-23)24-17(3)30)18-6-5-7-20(13-18)31-19-8-10-28(4)11-9-19/h5-7,12-14,19H,8-11H2,1-4H3,(H,24,25,26,30).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-4-yl)oxyphenyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).