[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

C18H14Cl2FN5O — CID 112845805

IUPAC[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
SMILESO=C(c1cc(F)cc2nccnc12)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H14Cl2FN5O/c19-11-7-14(20)17(24-10-11)25-3-5-26(6-4-25)18(27)13-8-12(21)9-15-16(13)23-2-1-22-15/h1-2,7-10H,3-6H2
InChIKeyUGPNUGSLDHMHDX-UHFFFAOYSA-N
MW406.25 g/mol
LogP3.43
Rot. Bonds2

About [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone (PubChem CID 112845805) has the molecular formula C18H14Cl2FN5O and a molecular weight of 406.25 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
PubChem CID112845805
Molecular FormulaC18H14Cl2FN5O
Molecular Weight406.25 g/mol
Exact Mass405.06
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
SMILESO=C(c1cc(F)cc2nccnc12)N1CCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H14Cl2FN5O/c19-11-7-14(20)17(24-10-11)25-3-5-26(6-4-25)18(27)13-8-12(21)9-15-16(13)23-2-1-22-15/h1-2,7-10H,3-6H2
InChIKeyUGPNUGSLDHMHDX-UHFFFAOYSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-2-fluorophenyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 87006636
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112844504
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561387
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 75470049
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
1-[4-(3,5-dichloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 166604874
N-[2-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55933429
(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 139006327
2-amino-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 119844372
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 119662738

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone (CID 112845805) is [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone is O=C(c1cc(F)cc2nccnc12)N1CCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The InChIKey is UGPNUGSLDHMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN5O/c19-11-7-14(20)17(24-10-11)25-3-5-26(6-4-25)18(27)13-8-12(21)9-15-16(13)23-2-1-22-15/h1-2,7-10H,3-6H2.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone has a molecular weight of 406.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone is sourced from PubChem (CID 112845805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).