[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone

C19H19ClFN5O — CID 146081322

IUPAC[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
SMILESCc1nc2cc(F)cc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)c2nc1C
InChIInChI=1S/C19H19ClFN5O/c1-11-12(2)24-18-16(7-14(21)8-17(18)23-11)19(27)25-5-3-15(4-6-25)26-10-13(20)9-22-26/h7-10,15H,3-6H2,1-2H3
InChIKeyKBNOKPVXSXCZPZ-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.71
Rot. Bonds2

About [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone

[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone (PubChem CID 146081322) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
PubChem CID146081322
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
SMILESCc1nc2cc(F)cc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)c2nc1C
InChIInChI=1S/C19H19ClFN5O/c1-11-12(2)24-18-16(7-14(21)8-17(18)23-11)19(27)25-5-3-15(4-6-25)26-10-13(20)9-22-26/h7-10,15H,3-6H2,1-2H3
InChIKeyKBNOKPVXSXCZPZ-UHFFFAOYSA-N
XLogP3.71
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
The IUPAC name of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone (CID 146081322) is [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone.
What is the SMILES notation for [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
The canonical SMILES for [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone is Cc1nc2cc(F)cc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)c2nc1C.
What is the InChIKey of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
The InChIKey is KBNOKPVXSXCZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c1-11-12(2)24-18-16(7-14(21)8-17(18)23-11)19(27)25-5-3-15(4-6-25)26-10-13(20)9-22-26/h7-10,15H,3-6H2,1-2H3.
What are the key properties of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone has a molecular weight of 387.85 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone is sourced from PubChem (CID 146081322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).