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

C20H32N8 — CID 66612934

IUPAC[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(CN)CC3)CC2)cnn1C
InChIInChI=1S/C20H32N8/c1-16-18(14-24-25(16)2)15-26-9-11-28(12-10-26)20-19(22-5-6-23-20)27-7-3-17(13-21)4-8-27/h5-6,14,17H,3-4,7-13,15,21H2,1-2H3
InChIKeyXENYQWILBMNWSF-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.02
Rot. Bonds5

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

[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine (PubChem CID 66612934) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine
PubChem CID66612934
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC Name[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(CN)CC3)CC2)cnn1C
InChIInChI=1S/C20H32N8/c1-16-18(14-24-25(16)2)15-26-9-11-28(12-10-26)20-19(22-5-6-23-20)27-7-3-17(13-21)4-8-27/h5-6,14,17H,3-4,7-13,15,21H2,1-2H3
InChIKeyXENYQWILBMNWSF-UHFFFAOYSA-N
XLogP1.02
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine (CID 66612934) is [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine is Cc1c(CN2CCN(c3nccnc3N3CCC(CN)CC3)CC2)cnn1C.
What is the InChIKey of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine?
The InChIKey is XENYQWILBMNWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c1-16-18(14-24-25(16)2)15-26-9-11-28(12-10-26)20-19(22-5-6-23-20)27-7-3-17(13-21)4-8-27/h5-6,14,17H,3-4,7-13,15,21H2,1-2H3.
What are the key properties of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine?
[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 384.53 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 66612934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).