(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C13H15FN4O — CID 110469439

IUPAC(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2[nH]nc3c(F)cccc23)CC1
InChIInChI=1S/C13H15FN4O/c1-17-5-7-18(8-6-17)13(19)12-9-3-2-4-10(14)11(9)15-16-12/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyLRLWPCHZQQXCRJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.09
Rot. Bonds1

About (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 110469439) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID110469439
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2[nH]nc3c(F)cccc23)CC1
InChIInChI=1S/C13H15FN4O/c1-17-5-7-18(8-6-17)13(19)12-9-3-2-4-10(14)11(9)15-16-12/h2-4H,5-8H2,1H3,(H,15,16)
InChIKeyLRLWPCHZQQXCRJ-UHFFFAOYSA-N
XLogP1.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 110469439) is (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2[nH]nc3c(F)cccc23)CC1.
What is the InChIKey of (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LRLWPCHZQQXCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-17-5-7-18(8-6-17)13(19)12-9-3-2-4-10(14)11(9)15-16-12/h2-4H,5-8H2,1H3,(H,15,16).
What are the key properties of (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 262.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2H-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110469439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).