4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine

C19H26N6O — CID 11503627

IUPAC4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N2CCOCC2)CC1
InChIInChI=1S/C19H26N6O/c1-23-7-2-8-24(10-9-23)19-18(25-11-13-26-14-12-25)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15H,2,7-14H2,1H3
InChIKeyHUUBWXIFFXIWKF-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.52
Rot. Bonds3

About 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine

4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine (PubChem CID 11503627) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine
PubChem CID11503627
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine
SMILESCN1CCCN(c2nc(-c3ccncc3)cnc2N2CCOCC2)CC1
InChIInChI=1S/C19H26N6O/c1-23-7-2-8-24(10-9-23)19-18(25-11-13-26-14-12-25)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15H,2,7-14H2,1H3
InChIKeyHUUBWXIFFXIWKF-UHFFFAOYSA-N
XLogP1.52
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine?
The IUPAC name of 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine (CID 11503627) is 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine is CN1CCCN(c2nc(-c3ccncc3)cnc2N2CCOCC2)CC1.
What is the InChIKey of 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine?
The InChIKey is HUUBWXIFFXIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-23-7-2-8-24(10-9-23)19-18(25-11-13-26-14-12-25)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15H,2,7-14H2,1H3.
What are the key properties of 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine?
4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine has a molecular weight of 354.46 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-4-ylpyrazin-2-yl]morpholine is sourced from PubChem (CID 11503627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).