5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole

C32H25FN2O — CID 156785964

IUPAC5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole
SMILESCOc1ccccc1[C@@](c1ccccc1)(c1ccc[nH]1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C32H25FN2O/c1-36-28-16-9-8-15-26(28)32(29-17-10-20-34-29,23-13-6-3-7-14-23)31-30(22-11-4-2-5-12-22)25-21-24(33)18-19-27(25)35-31/h2-21,34-35H,1H3/t32-/m0/s1
InChIKeyUEZIAZLENQLUFS-YTTGMZPUSA-N
MW472.56 g/mol
LogP7.69
Rot. Bonds6

About 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole

5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole (PubChem CID 156785964) has the molecular formula C32H25FN2O and a molecular weight of 472.56 g/mol. Its IUPAC name is 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole
PubChem CID156785964
Molecular FormulaC32H25FN2O
Molecular Weight472.56 g/mol
Exact Mass472.20
IUPAC Name5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole
SMILESCOc1ccccc1[C@@](c1ccccc1)(c1ccc[nH]1)c1[nH]c2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C32H25FN2O/c1-36-28-16-9-8-15-26(28)32(29-17-10-20-34-29,23-13-6-3-7-14-23)31-30(22-11-4-2-5-12-22)25-21-24(33)18-19-27(25)35-31/h2-21,34-35H,1H3/t32-/m0/s1
InChIKeyUEZIAZLENQLUFS-YTTGMZPUSA-N
XLogP7.69
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

O-Methylbufotenine
CID 1832
5-Methoxytryptamine
CID 1833
Idalopirdine
CID 21071390
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
CID 108029
5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
Indole, 3-(3-amino-2-propyl)-5-methoxy-
CID 30241
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole?
The IUPAC name of 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole (CID 156785964) is 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole.
What is the SMILES notation for 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole?
The canonical SMILES for 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole is COc1ccccc1[C@@](c1ccccc1)(c1ccc[nH]1)c1[nH]c2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole?
The InChIKey is UEZIAZLENQLUFS-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H25FN2O/c1-36-28-16-9-8-15-26(28)32(29-17-10-20-34-29,23-13-6-3-7-14-23)31-30(22-11-4-2-5-12-22)25-21-24(33)18-19-27(25)35-31/h2-21,34-35H,1H3/t32-/m0/s1.
What are the key properties of 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole?
5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole has a molecular weight of 472.56 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(S)-(2-methoxyphenyl)-phenyl-(1H-pyrrol-2-yl)methyl]-3-phenyl-1H-indole is sourced from PubChem (CID 156785964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).