1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one

C20H18ClN5O2 — CID 58842192

IUPAC1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one
SMILESO=C1N(c2cnccn2)CCCN1c1cc(Cl)ccc1OCc1cccnc1
InChIInChI=1S/C20H18ClN5O2/c21-16-4-5-18(28-14-15-3-1-6-22-12-15)17(11-16)25-9-2-10-26(20(25)27)19-13-23-7-8-24-19/h1,3-8,11-13H,2,9-10,14H2
InChIKeyKWBUEQFWORAXEL-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.94
Rot. Bonds5

About 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one

1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one (PubChem CID 58842192) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one
PubChem CID58842192
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one
SMILESO=C1N(c2cnccn2)CCCN1c1cc(Cl)ccc1OCc1cccnc1
InChIInChI=1S/C20H18ClN5O2/c21-16-4-5-18(28-14-15-3-1-6-22-12-15)17(11-16)25-9-2-10-26(20(25)27)19-13-23-7-8-24-19/h1,3-8,11-13H,2,9-10,14H2
InChIKeyKWBUEQFWORAXEL-UHFFFAOYSA-N
XLogP3.94
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{5-Chloro-2-[(1-methylpiperidin-4-yl)oxy]phenyl}-1-(5-cyanopyrazin-2-yl)urea
CID 11338178
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CID 11784902
1-[5-Chloro-4-(4-methylpiperazin-1-yl)-2-(pyridin-3-ylmethoxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 23646821
8-Chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
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CID 2741694
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CID 72195224
Pyrazine-Pyridine Biheteroaryl 48
CID 5330376
Pyrazine-Pyridine Biheteroaryl 60
CID 5330385
6-chloro-4-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 22512713
8-Chloro-5-[4-(2-phenylethyl)piperazin-1-yl]pyrido[2,3-b][1,5]benzoxazepine
CID 56964794
5-(4-Benzylpiperazin-1-yl)-8-chloropyrido[2,3-b][1,5]benzoxazepine
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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one?
The IUPAC name of 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one (CID 58842192) is 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one is O=C1N(c2cnccn2)CCCN1c1cc(Cl)ccc1OCc1cccnc1.
What is the InChIKey of 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one?
The InChIKey is KWBUEQFWORAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-16-4-5-18(28-14-15-3-1-6-22-12-15)17(11-16)25-9-2-10-26(20(25)27)19-13-23-7-8-24-19/h1,3-8,11-13H,2,9-10,14H2.
What are the key properties of 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one?
1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one has a molecular weight of 395.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]-3-pyrazin-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 58842192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).