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

C19H26N6 — CID 46230079

IUPAC1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H26N6/c1-23-9-4-12-25(14-13-23)19-18(24-10-2-3-11-24)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,2-4,9-14H2,1H3
InChIKeyIWZVONVJJGAFAZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.28
Rot. Bonds3

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

1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane (PubChem CID 46230079) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane
PubChem CID46230079
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1
InChIInChI=1S/C19H26N6/c1-23-9-4-12-25(14-13-23)19-18(24-10-2-3-11-24)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,2-4,9-14H2,1H3
InChIKeyIWZVONVJJGAFAZ-UHFFFAOYSA-N
XLogP2.28
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane (CID 46230079) is 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane is CN1CCCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1.
What is the InChIKey of 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
The InChIKey is IWZVONVJJGAFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-23-9-4-12-25(14-13-23)19-18(24-10-2-3-11-24)21-15-17(22-19)16-5-7-20-8-6-16/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane?
1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane has a molecular weight of 338.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane is sourced from PubChem (CID 46230079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).