[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone

C23H21F3N2O2 — CID 162389716

IUPAC[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
SMILESO=C(C1CCO1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H21F3N2O2/c24-15-3-1-14(2-4-15)21-17(18-10-16(25)11-19(26)22(18)27-21)9-13-5-7-28(12-13)23(29)20-6-8-30-20/h1-4,10-11,13,20,27H,5-9,12H2
InChIKeyRTAKVQSGGPXNBR-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.43
Rot. Bonds4

About [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone

[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone (PubChem CID 162389716) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone.

Molecular Properties

Compound Name[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
PubChem CID162389716
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
SMILESO=C(C1CCO1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C23H21F3N2O2/c24-15-3-1-14(2-4-15)21-17(18-10-16(25)11-19(26)22(18)27-21)9-13-5-7-28(12-13)23(29)20-6-8-30-20/h1-4,10-11,13,20,27H,5-9,12H2
InChIKeyRTAKVQSGGPXNBR-UHFFFAOYSA-N
XLogP4.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone?
The IUPAC name of [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone (CID 162389716) is [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone.
What is the SMILES notation for [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone?
The canonical SMILES for [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone is O=C(C1CCO1)N1CCC(Cc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone?
The InChIKey is RTAKVQSGGPXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-15-3-1-14(2-4-15)21-17(18-10-16(25)11-19(26)22(18)27-21)9-13-5-7-28(12-13)23(29)20-6-8-30-20/h1-4,10-11,13,20,27H,5-9,12H2.
What are the key properties of [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone?
[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone has a molecular weight of 414.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone is sourced from PubChem (CID 162389716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).