1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

C22H26FN3O — CID 86274158

IUPAC1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H26FN3O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3,(H,24,27)
InChIKeyXSHGVIPHMOTDCS-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.84
Rot. Bonds8

About 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide

1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide (PubChem CID 86274158) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
PubChem CID86274158
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1
InChIInChI=1S/C22H26FN3O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3,(H,24,27)
InChIKeyXSHGVIPHMOTDCS-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
(3H)granisetron
CID 3510
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide (CID 86274158) is 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide is CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
The InChIKey is XSHGVIPHMOTDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3,(H,24,27).
What are the key properties of 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide?
1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 86274158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).