N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

C24H30FN7O — CID 24568539

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3cc(C)nn3-c3ccc(F)cc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C24H30FN7O/c1-16(2)24-26-17(3)13-21(28-24)31-11-9-30(10-12-31)15-23(33)27-22-14-18(4)29-32(22)20-7-5-19(25)6-8-20/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,33)
InChIKeyWSYSUBQDZVJRFJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 24568539) has the molecular formula C24H30FN7O and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID24568539
Molecular FormulaC24H30FN7O
Molecular Weight451.55 g/mol
Exact Mass451.25
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3cc(C)nn3-c3ccc(F)cc3)CC2)nc(C(C)C)n1
InChIInChI=1S/C24H30FN7O/c1-16(2)24-26-17(3)13-21(28-24)31-11-9-30(10-12-31)15-23(33)27-22-14-18(4)29-32(22)20-7-5-19(25)6-8-20/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,33)
InChIKeyWSYSUBQDZVJRFJ-UHFFFAOYSA-N
XLogP3.30
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26377217
N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18094607
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24507299
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 26376619
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 26376688
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24561171
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 26376740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 24568539) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)Nc3cc(C)nn3-c3ccc(F)cc3)CC2)nc(C(C)C)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is WSYSUBQDZVJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O/c1-16(2)24-26-17(3)13-21(28-24)31-11-9-30(10-12-31)15-23(33)27-22-14-18(4)29-32(22)20-7-5-19(25)6-8-20/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,27,33).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24568539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).