1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole

C18H18FN3O — CID 21098451

IUPAC1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole
SMILESFc1ccc(Cn2ncc3cc(O[C@H]4CCNC4)ccc32)cc1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(9-14(18)10-21-22)23-17-7-8-20-11-17/h1-6,9-10,17,20H,7-8,11-12H2/t17-/m0/s1
InChIKeyGTVNANDVOBXZSM-KRWDZBQOSA-N
MW311.36 g/mol
LogP2.96
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole

1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole (PubChem CID 21098451) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole
PubChem CID21098451
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole
SMILESFc1ccc(Cn2ncc3cc(O[C@H]4CCNC4)ccc32)cc1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(9-14(18)10-21-22)23-17-7-8-20-11-17/h1-6,9-10,17,20H,7-8,11-12H2/t17-/m0/s1
InChIKeyGTVNANDVOBXZSM-KRWDZBQOSA-N
XLogP2.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-((1S,2R)-2-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)-2-(3-methoxyphenyl)-1-methylethyl)acetamide
CID 24825740
Mizacorat
CID 121248172
2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]cyclopropanesulfonamide
CID 24953162
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2,2-dimethyl-propanamide
CID 25012190
N-((1S,2R)-2-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-methyl-2-phenylethyl)cyclopropanecarboxamide
CID 25013321
N-((1R,2S)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)-1-(4-methoxyphenyl)propan-2-yl)pivalamide
CID 25013326
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-hydroxy-acetamide
CID 25013489
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 25013490
N-((1R,2S)-1-(2,3-dihydrobenzofuran-6-yl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)propan-2-yl)-2,2-difluoropropanamide
CID 44515373

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole (CID 21098451) is 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole is Fc1ccc(Cn2ncc3cc(O[C@H]4CCNC4)ccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole?
The InChIKey is GTVNANDVOBXZSM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(9-14(18)10-21-22)23-17-7-8-20-11-17/h1-6,9-10,17,20H,7-8,11-12H2/t17-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole?
1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole has a molecular weight of 311.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole is sourced from PubChem (CID 21098451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).