3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole

C19H22N4 — CID 58483614

IUPAC3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
SMILESCc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12
InChIInChI=1S/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3
InChIKeyBELRGSFMCTVTGY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.13
Rot. Bonds2

About 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole

3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole (PubChem CID 58483614) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole.

Molecular Properties

Compound Name3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
PubChem CID58483614
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole
SMILESCc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12
InChIInChI=1S/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3
InChIKeyBELRGSFMCTVTGY-UHFFFAOYSA-N
XLogP3.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
The IUPAC name of 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole (CID 58483614) is 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole.
What is the SMILES notation for 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
The canonical SMILES for 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole is Cc1nn(-c2ccccc2)c2cc(N3CCNC(C)C3)ccc12.
What is the InChIKey of 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
The InChIKey is BELRGSFMCTVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-13-22(11-10-20-14)17-8-9-18-15(2)21-23(19(18)12-17)16-6-4-3-5-7-16/h3-9,12,14,20H,10-11,13H2,1-2H3.
What are the key properties of 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole?
3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole has a molecular weight of 306.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-methylpiperazin-1-yl)-1-phenylindazole is sourced from PubChem (CID 58483614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).