4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

C17H19N7OS — CID 122338681

IUPAC4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)Nc3cccs3)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C17H19N7OS/c1-13-19-14(11-15(20-13)24-5-4-18-12-24)22-6-8-23(9-7-22)17(25)21-16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,25)
InChIKeyXHHLCQHGCKTIML-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.39
Rot. Bonds3

About 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 122338681) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID122338681
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)Nc3cccs3)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C17H19N7OS/c1-13-19-14(11-15(20-13)24-5-4-18-12-24)22-6-8-23(9-7-22)17(25)21-16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,25)
InChIKeyXHHLCQHGCKTIML-UHFFFAOYSA-N
XLogP2.39
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47000911
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 56700336
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 56700117
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122338684
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50944892
(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 121073773
N-(4-methylphenyl)-4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122342274
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
(3-fluorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700227
(2,5-dimethylphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699268
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122346068
2-(2-fluorophenyl)-1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122338526

Frequently Asked Questions

What is the IUPAC name of 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (CID 122338681) is 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is Cc1nc(N2CCN(C(=O)Nc3cccs3)CC2)cc(-n2ccnc2)n1.
What is the InChIKey of 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is XHHLCQHGCKTIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-13-19-14(11-15(20-13)24-5-4-18-12-24)22-6-8-23(9-7-22)17(25)21-16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,21,25).
What are the key properties of 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122338681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).