N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

C23H30ClN7O2 — CID 6602942

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1.Cl
InChIInChI=1S/C23H29N7O2.ClH/c1-16-13-17(2)25-23(24-16)30-21(14-18(3)27-30)26-22(31)15-28-9-11-29(12-10-28)19-7-5-6-8-20(19)32-4;/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,31);1H
InChIKeyVGOGGCHGCSDMFW-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6602942) has the molecular formula C23H30ClN7O2 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6602942
Molecular FormulaC23H30ClN7O2
Molecular Weight471.99 g/mol
Exact Mass471.21
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1.Cl
InChIInChI=1S/C23H29N7O2.ClH/c1-16-13-17(2)25-23(24-16)30-21(14-18(3)27-30)26-22(31)15-28-9-11-29(12-10-28)19-7-5-6-8-20(19)32-4;/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,31);1H
InChIKeyVGOGGCHGCSDMFW-UHFFFAOYSA-N
XLogP2.78
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 6602942) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is COc1ccccc1N1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1.Cl.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is VGOGGCHGCSDMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2.ClH/c1-16-13-17(2)25-23(24-16)30-21(14-18(3)27-30)26-22(31)15-28-9-11-29(12-10-28)19-7-5-6-8-20(19)32-4;/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,31);1H.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 471.99 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6602942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).