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

C18H24N6 — CID 46230081

IUPAC1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane
SMILESc1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)ccn1
InChIInChI=1S/C18H24N6/c1-2-11-23(10-1)17-18(24-12-3-6-19-9-13-24)22-16(14-21-17)15-4-7-20-8-5-15/h4-5,7-8,14,19H,1-3,6,9-13H2
InChIKeyZGBVRRJEKGMKMJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.94
Rot. Bonds3

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

1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane (PubChem CID 46230081) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane
PubChem CID46230081
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane
SMILESc1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)ccn1
InChIInChI=1S/C18H24N6/c1-2-11-23(10-1)17-18(24-12-3-6-19-9-13-24)22-16(14-21-17)15-4-7-20-8-5-15/h4-5,7-8,14,19H,1-3,6,9-13H2
InChIKeyZGBVRRJEKGMKMJ-UHFFFAOYSA-N
XLogP1.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
The IUPAC name of 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane (CID 46230081) is 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane is c1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)ccn1.
What is the InChIKey of 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
The InChIKey is ZGBVRRJEKGMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-11-23(10-1)17-18(24-12-3-6-19-9-13-24)22-16(14-21-17)15-4-7-20-8-5-15/h4-5,7-8,14,19H,1-3,6,9-13H2.
What are the key properties of 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane has a molecular weight of 324.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane is sourced from PubChem (CID 46230081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).