3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide

C23H20FN3O2 — CID 23589708

IUPAC3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C23H20FN3O2/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyQRTDYFHGVUOXIL-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.14
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide (PubChem CID 23589708) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
PubChem CID23589708
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C23H20FN3O2/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27)
InChIKeyQRTDYFHGVUOXIL-UHFFFAOYSA-N
XLogP4.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyridine-3-carboxamide
CID 123528427
3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589685
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555388
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
CID 135617784
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide (CID 23589708) is 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide is Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide?
The InChIKey is QRTDYFHGVUOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).