4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

C26H20FN7O — CID 166357739

IUPAC4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20FN7O/c27-20-7-1-16(2-8-20)24-13-14-28-34(24)21-9-3-17(4-10-21)26(35)29-23-12-6-18-15-19(5-11-22(18)23)25-30-32-33-31-25/h1-5,7-11,13-15,23H,6,12H2,(H,29,35)(H,30,31,32,33)
InChIKeyWQUXHGVVNNMTST-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.28
Rot. Bonds5

About 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 166357739) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID166357739
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20FN7O/c27-20-7-1-16(2-8-20)24-13-14-28-34(24)21-9-3-17(4-10-21)26(35)29-23-12-6-18-15-19(5-11-22(18)23)25-30-32-33-31-25/h1-5,7-11,13-15,23H,6,12H2,(H,29,35)(H,30,31,32,33)
InChIKeyWQUXHGVVNNMTST-UHFFFAOYSA-N
XLogP4.28
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58687132
2-hydroxy-2-methyl-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]propanamide
CID 166372274
6-N-[(1-methylpyrazol-4-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686152
6-N-[(4-fluoro-3-methoxyphenyl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11677530
2-methyl-N-[(1R)-5-pyrimidin-2-yl-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412839
4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 167983434
6-N-[(5-methylthiophen-3-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686508
6-N-[(2-methyl-1-benzofuran-6-yl)methyl]-4-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686938
4-N-[(4-fluoro-3-methylphenyl)methyl]-6-oxo-2-N-[(1S)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-7H-imidazo[1,5-a]pyrimidine-2,4-dicarboxamide
CID 91416473
3-[5-(4-fluorophenyl)pyrazol-1-yl]benzoic acid
CID 16776531
6-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686568
N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95908034

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide (CID 166357739) is 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2cc(-c3nn[nH]n3)ccc21)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is WQUXHGVVNNMTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c27-20-7-1-16(2-8-20)24-13-14-28-34(24)21-9-3-17(4-10-21)26(35)29-23-12-6-18-15-19(5-11-22(18)23)25-30-32-33-31-25/h1-5,7-11,13-15,23H,6,12H2,(H,29,35)(H,30,31,32,33).
What are the key properties of 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide?
4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 465.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)pyrazol-1-yl]-N-[5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 166357739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).