5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide

C19H15BrFN5O2 — CID 45380733

IUPAC5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cnc(N2CC(Oc3cc(F)ccc3Br)C2)cn1
InChIInChI=1S/C19H15BrFN5O2/c20-14-5-4-12(21)7-16(14)28-13-10-26(11-13)18-9-23-15(8-24-18)19(27)25-17-3-1-2-6-22-17/h1-9,13H,10-11H2,(H,22,25,27)
InChIKeyPHOCWPRSONRRMT-UHFFFAOYSA-N
MW444.26 g/mol
LogP3.29
Rot. Bonds5

About 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide

5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide (PubChem CID 45380733) has the molecular formula C19H15BrFN5O2 and a molecular weight of 444.26 g/mol. Its IUPAC name is 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
PubChem CID45380733
Molecular FormulaC19H15BrFN5O2
Molecular Weight444.26 g/mol
Exact Mass443.04
IUPAC Name5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cnc(N2CC(Oc3cc(F)ccc3Br)C2)cn1
InChIInChI=1S/C19H15BrFN5O2/c20-14-5-4-12(21)7-16(14)28-13-10-26(11-13)18-9-23-15(8-24-18)19(27)25-17-3-1-2-6-22-17/h1-9,13H,10-11H2,(H,22,25,27)
InChIKeyPHOCWPRSONRRMT-UHFFFAOYSA-N
XLogP3.29
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 45380833
4-[4-[[5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]pyrazine-2-carbonyl]amino]phenyl]benzoic acid
CID 67300357
5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-(4-ethylphenyl)pyrazine-2-carboxamide;carbon dioxide
CID 157131466
methyl 2-[4-[[5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]pyrazine-2-carbonyl]amino]phenyl]sulfanylacetate
CID 123414267
[[5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]pyrazine-2-carbonyl]-ethylamino] acetate
CID 87375408
5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide
CID 67960595
5-phenyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 110683613
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide (CID 45380733) is 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide is O=C(Nc1ccccn1)c1cnc(N2CC(Oc3cc(F)ccc3Br)C2)cn1.
What is the InChIKey of 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide?
The InChIKey is PHOCWPRSONRRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN5O2/c20-14-5-4-12(21)7-16(14)28-13-10-26(11-13)18-9-23-15(8-24-18)19(27)25-17-3-1-2-6-22-17/h1-9,13H,10-11H2,(H,22,25,27).
What are the key properties of 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide?
5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide has a molecular weight of 444.26 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-bromo-5-fluorophenoxy)azetidin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 45380733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).