2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile

C28H18F2N2O — CID 11293493

IUPAC2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(C(O)c3ccccc3)c2c1
InChIInChI=1S/C28H18F2N2O/c29-22-10-6-19(7-11-22)25-26(28(33)21-4-2-1-3-5-21)24-16-18(17-31)14-15-32(24)27(25)20-8-12-23(30)13-9-20/h1-16,28,33H
InChIKeyGIPPEUQRWAUMDY-UHFFFAOYSA-N
MW436.46 g/mol
LogP6.50
Rot. Bonds4

About 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile

2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile (PubChem CID 11293493) has the molecular formula C28H18F2N2O and a molecular weight of 436.46 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
PubChem CID11293493
Molecular FormulaC28H18F2N2O
Molecular Weight436.46 g/mol
Exact Mass436.14
IUPAC Name2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
SMILESN#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(C(O)c3ccccc3)c2c1
InChIInChI=1S/C28H18F2N2O/c29-22-10-6-19(7-11-22)25-26(28(33)21-4-2-1-3-5-21)24-16-18(17-31)14-15-32(24)27(25)20-8-12-23(30)13-9-20/h1-16,28,33H
InChIKeyGIPPEUQRWAUMDY-UHFFFAOYSA-N
XLogP6.50
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.46
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Flutroline
CID 51174
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1-(1-methyl-1H-indol-3-yl)-2-(1-piperidinyl)ethanol
CID 315014
(1-Benzyl-1h-indol-3-yl)methanol
CID 402633
[1-(4-methylbenzyl)-1H-indol-3-yl]methanol
CID 900428
7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10005023
[1-[[3-(Trifluoromethyl)phenyl]methyl]indol-3-yl]methanol
CID 16738801
[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanol
CID 134563650
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-ethyl-
CID 21217
Indole-3-methanol, alpha-((dimethylamino)methyl)-1-methyl-
CID 39131
[1-[(4-Fluorophenyl)methyl]indol-3-yl]methanol
CID 15312694

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile?
The IUPAC name of 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile (CID 11293493) is 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile is N#Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(C(O)c3ccccc3)c2c1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile?
The InChIKey is GIPPEUQRWAUMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F2N2O/c29-22-10-6-19(7-11-22)25-26(28(33)21-4-2-1-3-5-21)24-16-18(17-31)14-15-32(24)27(25)20-8-12-23(30)13-9-20/h1-16,28,33H.
What are the key properties of 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile?
2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile has a molecular weight of 436.46 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile is sourced from PubChem (CID 11293493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).