6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine

C20H26N6S — CID 133284621

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC3CCN(Cc4cccs4)CC3)n2)n1
InChIInChI=1S/C20H26N6S/c1-15-10-16(2)26(24-15)20-13-21-12-19(23-20)22-11-17-5-7-25(8-6-17)14-18-4-3-9-27-18/h3-4,9-10,12-13,17H,5-8,11,14H2,1-2H3,(H,22,23)
InChIKeyXRJJLYQUYBQKFN-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.66
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine (PubChem CID 133284621) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
PubChem CID133284621
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC3CCN(Cc4cccs4)CC3)n2)n1
InChIInChI=1S/C20H26N6S/c1-15-10-16(2)26(24-15)20-13-21-12-19(23-20)22-11-17-5-7-25(8-6-17)14-18-4-3-9-27-18/h3-4,9-10,12-13,17H,5-8,11,14H2,1-2H3,(H,22,23)
InChIKeyXRJJLYQUYBQKFN-UHFFFAOYSA-N
XLogP3.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 133446469
3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133469202
2-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133300088
6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine
CID 99801713
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrazin-2-amine
CID 133284960
5-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-2-amine
CID 122151089
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
2-methyl-6-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrazine
CID 125019406
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine (CID 133284621) is 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCC3CCN(Cc4cccs4)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
The InChIKey is XRJJLYQUYBQKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S/c1-15-10-16(2)26(24-15)20-13-21-12-19(23-20)22-11-17-5-7-25(8-6-17)14-18-4-3-9-27-18/h3-4,9-10,12-13,17H,5-8,11,14H2,1-2H3,(H,22,23).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine has a molecular weight of 382.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133284621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).