1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane

C20H28N6 — CID 46230080

IUPAC1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCCC2)CC1
InChIInChI=1S/C20H28N6/c1-24-10-5-13-26(15-14-24)20-19(25-11-3-2-4-12-25)22-16-18(23-20)17-6-8-21-9-7-17/h6-9,16H,2-5,10-15H2,1H3
InChIKeyWDLCISHIIHRLLT-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.67
Rot. Bonds3

About 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane

1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane (PubChem CID 46230080) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane
PubChem CID46230080
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCCC2)CC1
InChIInChI=1S/C20H28N6/c1-24-10-5-13-26(15-14-24)20-19(25-11-3-2-4-12-25)22-16-18(23-20)17-6-8-21-9-7-17/h6-9,16H,2-5,10-15H2,1H3
InChIKeyWDLCISHIIHRLLT-UHFFFAOYSA-N
XLogP2.67
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane (CID 46230080) is 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane is CN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane?
The InChIKey is WDLCISHIIHRLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-24-10-5-13-26(15-14-24)20-19(25-11-3-2-4-12-25)22-16-18(23-20)17-6-8-21-9-7-17/h6-9,16H,2-5,10-15H2,1H3.
What are the key properties of 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane?
1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane has a molecular weight of 352.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-piperidin-1-yl-6-pyridin-4-ylpyrazin-2-yl)-1,4-diazepane is sourced from PubChem (CID 46230080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).