(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone

C15H16ClN3O2 — CID 102562615

IUPAC(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
SMILESO=C(c1cncc(Cl)n1)N1CCCCCC1c1ccco1
InChIInChI=1S/C15H16ClN3O2/c16-14-10-17-9-11(18-14)15(20)19-7-3-1-2-5-12(19)13-6-4-8-21-13/h4,6,8-10,12H,1-3,5,7H2
InChIKeyHIQAEKSBVGJEGP-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.48
Rot. Bonds2

About (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone

(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone (PubChem CID 102562615) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
PubChem CID102562615
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
SMILESO=C(c1cncc(Cl)n1)N1CCCCCC1c1ccco1
InChIInChI=1S/C15H16ClN3O2/c16-14-10-17-9-11(18-14)15(20)19-7-3-1-2-5-12(19)13-6-4-8-21-13/h4,6,8-10,12H,1-3,5,7H2
InChIKeyHIQAEKSBVGJEGP-UHFFFAOYSA-N
XLogP3.48
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(furan-2-yl)azepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119136063
5-[(2S)-2-(furan-2-yl)azepane-1-carbonyl]-1H-pyrazin-2-one
CID 97210433
[(2R)-2-(furan-2-yl)azepan-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 95725001
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
[2-(furan-2-yl)azepan-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 74231471
[(2S)-2-(furan-2-yl)azepan-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
CID 97317503
[2-(furan-2-yl)pyrrolidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 74240384
[2-(furan-2-yl)azepan-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 70768765
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone (CID 102562615) is (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone is O=C(c1cncc(Cl)n1)N1CCCCCC1c1ccco1.
What is the InChIKey of (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone?
The InChIKey is HIQAEKSBVGJEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-10-17-9-11(18-14)15(20)19-7-3-1-2-5-12(19)13-6-4-8-21-13/h4,6,8-10,12H,1-3,5,7H2.
What are the key properties of (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone?
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone has a molecular weight of 305.76 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone is sourced from PubChem (CID 102562615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).