5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide

C21H24FN5O — CID 126803336

IUPAC5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(F)cc2C(=O)NCc2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C21H24FN5O/c1-25-7-9-27(10-8-25)19-6-5-17(22)12-18(19)21(28)23-13-15-3-4-16-14-24-26(2)20(16)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyIREUSDSTXDVTAH-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.39
Rot. Bonds4

About 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide

5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 126803336) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID126803336
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(F)cc2C(=O)NCc2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C21H24FN5O/c1-25-7-9-27(10-8-25)19-6-5-17(22)12-18(19)21(28)23-13-15-3-4-16-14-24-26(2)20(16)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,28)
InChIKeyIREUSDSTXDVTAH-UHFFFAOYSA-N
XLogP2.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-fubinaca
CID 58124399
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893
N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 24769095
N-Ethyl-2-fluoro-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 24937935
N-Ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45267605
N-Ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45267606

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide (CID 126803336) is 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(F)cc2C(=O)NCc2ccc3cnn(C)c3c2)CC1.
What is the InChIKey of 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is IREUSDSTXDVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-25-7-9-27(10-8-25)19-6-5-17(22)12-18(19)21(28)23-13-15-3-4-16-14-24-26(2)20(16)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,28).
What are the key properties of 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide?
5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1-methylindazol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 126803336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).