N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine

C20H28N8 — CID 136581811

IUPACN-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESCc1nccn1-c1cncc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1
InChIInChI=1S/C20H28N8/c1-15-22-9-11-28(15)19-13-21-12-18(24-19)26(3)14-16-6-5-10-25(2)20(16)17-7-8-23-27(17)4/h7-9,11-13,16,20H,5-6,10,14H2,1-4H3/t16-,20+/m0/s1
InChIKeyCBBQWXFFXTVBAD-OXJNMPFZSA-N
MW380.50 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine

N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 136581811) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID136581811
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC NameN-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESCc1nccn1-c1cncc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1
InChIInChI=1S/C20H28N8/c1-15-22-9-11-28(15)19-13-21-12-18(24-19)26(3)14-16-6-5-10-25(2)20(16)17-7-8-23-27(17)4/h7-9,11-13,16,20H,5-6,10,14H2,1-4H3/t16-,20+/m0/s1
InChIKeyCBBQWXFFXTVBAD-OXJNMPFZSA-N
XLogP2.22
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine (CID 136581811) is N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine is Cc1nccn1-c1cncc(N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)n1.
What is the InChIKey of N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is CBBQWXFFXTVBAD-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H28N8/c1-15-22-9-11-28(15)19-13-21-12-18(24-19)26(3)14-16-6-5-10-25(2)20(16)17-7-8-23-27(17)4/h7-9,11-13,16,20H,5-6,10,14H2,1-4H3/t16-,20+/m0/s1.
What are the key properties of N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine?
N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 380.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylimidazol-1-yl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 136581811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).