2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine

C21H33N7O — CID 59438229

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine
SMILESCOCC1CCN(c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)CC1
InChIInChI=1S/C21H33N7O/c1-17-19(14-24-25(17)2)15-26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-4-18(5-9-27)16-29-3/h6-7,14,18H,4-5,8-13,15-16H2,1-3H3
InChIKeyOAOKHFOVPWMKHV-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.70
Rot. Bonds6

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine (PubChem CID 59438229) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine
PubChem CID59438229
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine
SMILESCOCC1CCN(c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)CC1
InChIInChI=1S/C21H33N7O/c1-17-19(14-24-25(17)2)15-26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-4-18(5-9-27)16-29-3/h6-7,14,18H,4-5,8-13,15-16H2,1-3H3
InChIKeyOAOKHFOVPWMKHV-UHFFFAOYSA-N
XLogP1.70
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine (CID 59438229) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine is COCC1CCN(c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)CC1.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine?
The InChIKey is OAOKHFOVPWMKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O/c1-17-19(14-24-25(17)2)15-26-10-12-28(13-11-26)21-20(22-6-7-23-21)27-8-4-18(5-9-27)16-29-3/h6-7,14,18H,4-5,8-13,15-16H2,1-3H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine has a molecular weight of 399.54 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(methoxymethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 59438229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).