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

C21H26N8O — CID 25138090

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30)
InChIKeyCQMWNSQCEMHNIW-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.05
Rot. Bonds4

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 25138090) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
PubChem CID25138090
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30)
InChIKeyCQMWNSQCEMHNIW-UHFFFAOYSA-N
XLogP2.05
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (CID 25138090) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
The InChIKey is CQMWNSQCEMHNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-14-12-15(2)29(26-14)21-24-18(13-19(25-21)22-16(3)30)17-6-5-7-20(23-17)28-10-8-27(4)9-11-28/h5-7,12-13H,8-11H2,1-4H3,(H,22,24,25,30).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).