3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide

C24H21F2N3O2 — CID 166191205

IUPAC3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC(O)c1ccccn1
InChIInChI=1S/C24H21F2N3O2/c25-16-6-4-15(5-7-16)24-18(19-13-17(26)8-10-20(19)29-24)9-11-23(31)28-14-22(30)21-3-1-2-12-27-21/h1-8,10,12-13,22,29-30H,9,11,14H2,(H,28,31)
InChIKeyAABIWQQWQVMZFK-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.29
Rot. Bonds7

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide (PubChem CID 166191205) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide
PubChem CID166191205
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC(O)c1ccccn1
InChIInChI=1S/C24H21F2N3O2/c25-16-6-4-15(5-7-16)24-18(19-13-17(26)8-10-20(19)29-24)9-11-23(31)28-14-22(30)21-3-1-2-12-27-21/h1-8,10,12-13,22,29-30H,9,11,14H2,(H,28,31)
InChIKeyAABIWQQWQVMZFK-UHFFFAOYSA-N
XLogP4.29
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
Cyclo(-D-Trp-Tyr)
CID 7408398
2-hydroxy-N-{[3-(2-hydroxy-3-{1H-pyrrolo[3,2-c]pyridin-2-yl}phenyl)phenyl]methyl}-2-phenylacetamide
CID 23646881
(3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione
CID 7408259
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-2-[2-(2-hydroxymethyl-pyridin-4-yl)-ethylamino]-1-methyl-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one
CID 44340888
1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethyl-phenyl)-3-((S)-2-{2-[2-(1-hydroxy-ethyl)-pyridin-4-yl]-ethylamino}-1-methyl-ethyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44340928
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 53307875
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(2-methyl-4-pyridinyl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 53307957
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(3-methoxypropyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392013
(3S,4R)-N-[(1-benzyl-4-fluoroindol-3-yl)methyl]-N-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxamide
CID 57393727
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57393729
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[1-[(3,4-difluorophenyl)methyl]-4-fluoroindol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57395455

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide (CID 166191205) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC(O)c1ccccn1.
What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide?
The InChIKey is AABIWQQWQVMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-16-6-4-15(5-7-16)24-18(19-13-17(26)8-10-20(19)29-24)9-11-23(31)28-14-22(30)21-3-1-2-12-27-21/h1-8,10,12-13,22,29-30H,9,11,14H2,(H,28,31).
What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide?
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide has a molecular weight of 421.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxy-2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 166191205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).