ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole

C20H25FN4 — CID 168961672

IUPACethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole
SMILESCC.Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CNCCN1
InChIInChI=1S/C18H19FN4.C2H6/c1-12-8-18-13(9-16(12)17-11-20-6-7-21-17)10-22-23(18)15-4-2-14(19)3-5-15;1-2/h2-5,8-10,17,20-21H,6-7,11H2,1H3;1-2H3
InChIKeyJXLDMPMVDKMENF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.73
Rot. Bonds2

About ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole

ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole (PubChem CID 168961672) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole
PubChem CID168961672
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Nameethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole
SMILESCC.Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CNCCN1
InChIInChI=1S/C18H19FN4.C2H6/c1-12-8-18-13(9-16(12)17-11-20-6-7-21-17)10-22-23(18)15-4-2-14(19)3-5-15;1-2/h2-5,8-10,17,20-21H,6-7,11H2,1H3;1-2H3
InChIKeyJXLDMPMVDKMENF-UHFFFAOYSA-N
XLogP3.73
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-6-methyl-5-[(2S)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813243
1-(4-fluorophenyl)-5-[(2S)-1-[(3-methoxycyclobutyl)methyl]piperazin-2-yl]-6-methylindazole
CID 168812908
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
5-(2,3-dihydropyridin-4-yl)-1-(4-fluorophenyl)-6-methylindazole
CID 175885811
1-(4-fluorophenyl)-6-methyl-5-[(2S,6R)-6-methyl-1-(2-methylpropyl)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168812898
1-(4-fluorophenyl)-6-methyl-5-[1-(1-propylpyrazol-4-yl)sulfanylpiperidin-4-yl]indazole
CID 166916695
5-(1-benzyl-4-methylsulfanylpiperazin-2-yl)-1-(4-fluorophenyl)-6-methylindazole
CID 168961526
(3S)-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N,N-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 168812762
5-[(2R)-1-benzyl-4-methylsulfonylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168813101
1-(4-fluorophenyl)-6-methyl-5-[(2S)-1-(2-methylpropyl)-4-(2-methylpropylsulfonyl)piperazin-2-yl]indazole
CID 168812766
5-[1-ethyl-4-(2-methyltriazol-4-yl)sulfanylpiperazin-2-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 168961481
1-(4-fluorophenyl)-6-methyl-5-[(2S)-4-(2-methyltriazol-4-yl)sulfonyl-1-(oxetan-3-yl)piperazin-2-yl]indazole
CID 168812942

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole?
The IUPAC name of ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole (CID 168961672) is ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole.
What is the SMILES notation for ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole?
The canonical SMILES for ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole is CC.Cc1cc2c(cnn2-c2ccc(F)cc2)cc1C1CNCCN1.
What is the InChIKey of ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole?
The InChIKey is JXLDMPMVDKMENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4.C2H6/c1-12-8-18-13(9-16(12)17-11-20-6-7-21-17)10-22-23(18)15-4-2-14(19)3-5-15;1-2/h2-5,8-10,17,20-21H,6-7,11H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole?
ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole has a molecular weight of 340.45 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)-6-methyl-5-piperazin-2-ylindazole is sourced from PubChem (CID 168961672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).