5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one

C18H21N7O — CID 66504220

IUPAC5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C18H21N7O/c1-13-14(12-20-18(21-13)24-9-7-23(2)8-10-24)15-11-17(26)25(22-15)16-5-3-4-6-19-16/h3-6,11-12,22H,7-10H2,1-2H3
InChIKeyAEJNZQLTNJSXPX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.08
Rot. Bonds3

About 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one

5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 66504220) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID66504220
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESCc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C18H21N7O/c1-13-14(12-20-18(21-13)24-9-7-23(2)8-10-24)15-11-17(26)25(22-15)16-5-3-4-6-19-16/h3-6,11-12,22H,7-10H2,1-2H3
InChIKeyAEJNZQLTNJSXPX-UHFFFAOYSA-N
XLogP1.08
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenyl-1H-pyrazol-3-one
CID 66504379
2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504353
2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504423
2-(1,1-dioxothiolan-3-yl)-5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504259
2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504653
2-(1H-benzimidazol-2-yl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504229
2-(3,5-difluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504404
2-(4-chlorophenyl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504213
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504378
2-(4-chloro-2-fluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504416
2-(1,3-benzoxazol-2-yl)-5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504226
5-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one
CID 66504431

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one (CID 66504220) is 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one is Cc1nc(N2CCN(C)CC2)ncc1-c1cc(=O)n(-c2ccccn2)[nH]1.
What is the InChIKey of 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is AEJNZQLTNJSXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-14(12-20-18(21-13)24-9-7-23(2)8-10-24)15-11-17(26)25(22-15)16-5-3-4-6-19-16/h3-6,11-12,22H,7-10H2,1-2H3.
What are the key properties of 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one?
5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 351.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 66504220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).