6-fluoro-1-methyl-3-piperazin-1-ylindazole

C12H15FN4 — CID 57288781

IUPAC6-fluoro-1-methyl-3-piperazin-1-ylindazole
SMILESCn1nc(N2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C12H15FN4/c1-16-11-8-9(13)2-3-10(11)12(15-16)17-6-4-14-5-7-17/h2-3,8,14H,4-7H2,1H3
InChIKeyPREFNKJBCKDBNW-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.12
Rot. Bonds1

About 6-fluoro-1-methyl-3-piperazin-1-ylindazole

6-fluoro-1-methyl-3-piperazin-1-ylindazole (PubChem CID 57288781) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-piperazin-1-ylindazole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-piperazin-1-ylindazole
PubChem CID57288781
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name6-fluoro-1-methyl-3-piperazin-1-ylindazole
SMILESCn1nc(N2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C12H15FN4/c1-16-11-8-9(13)2-3-10(11)12(15-16)17-6-4-14-5-7-17/h2-3,8,14H,4-7H2,1H3
InChIKeyPREFNKJBCKDBNW-UHFFFAOYSA-N
XLogP1.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-methyl-3-piperidin-1-ylindazole
CID 19020636
6-fluoro-1,3-dimethylindazole
CID 59514053
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
6-fluoro-3-piperazin-1-yl-1,2-benzoxazole
CID 19805377
6-fluoro-1-methylindazol-3-amine
CID 15239650
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
3-ethyl-6-fluoro-2-piperazin-1-ylquinoline
CID 121236550
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
7-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620202
3-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 84683022
3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236507
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 95432808

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-piperazin-1-ylindazole?
The IUPAC name of 6-fluoro-1-methyl-3-piperazin-1-ylindazole (CID 57288781) is 6-fluoro-1-methyl-3-piperazin-1-ylindazole.
What is the SMILES notation for 6-fluoro-1-methyl-3-piperazin-1-ylindazole?
The canonical SMILES for 6-fluoro-1-methyl-3-piperazin-1-ylindazole is Cn1nc(N2CCNCC2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-piperazin-1-ylindazole?
The InChIKey is PREFNKJBCKDBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-16-11-8-9(13)2-3-10(11)12(15-16)17-6-4-14-5-7-17/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 6-fluoro-1-methyl-3-piperazin-1-ylindazole?
6-fluoro-1-methyl-3-piperazin-1-ylindazole has a molecular weight of 234.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-piperazin-1-ylindazole is sourced from PubChem (CID 57288781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).