N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide

C22H27N7O — CID 122357159

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C22H27N7O/c1-15-20(16(2)24-22(23-15)29-12-10-27(3)11-13-29)25-21(30)19-14-18(26-28(19)4)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,25,30)
InChIKeyPUSZARAEHUTBIE-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.50
Rot. Bonds4

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 122357159) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID122357159
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C22H27N7O/c1-15-20(16(2)24-22(23-15)29-12-10-27(3)11-13-29)25-21(30)19-14-18(26-28(19)4)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,25,30)
InChIKeyPUSZARAEHUTBIE-UHFFFAOYSA-N
XLogP2.50
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-phenylpyrazole-5-carboxamide
CID 122295622
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 122357164
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,4-difluorobenzamide
CID 122357088
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 122357061
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122357285
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122303405
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide
CID 122357284
1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide (CID 122357159) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide is Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is PUSZARAEHUTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-15-20(16(2)24-22(23-15)29-12-10-27(3)11-13-29)25-21(30)19-14-18(26-28(19)4)17-8-6-5-7-9-17/h5-9,14H,10-13H2,1-4H3,(H,25,30).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 122357159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).