2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide

C22H18FN3O2 — CID 10667175

IUPAC2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O2/c23-17-3-1-15(2-4-17)13-26-14-16(20-6-5-19(27)12-21(20)26)11-22(28)25-18-7-9-24-10-8-18/h1-10,12,14,27H,11,13H2,(H,24,25,28)
InChIKeyZFCDLWUKULWPJT-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.11
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide

2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 10667175) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID10667175
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1
InChIInChI=1S/C22H18FN3O2/c23-17-3-1-15(2-4-17)13-26-14-16(20-6-5-19(27)12-21(20)26)11-22(28)25-18-7-9-24-10-8-18/h1-10,12,14,27H,11,13H2,(H,24,25,28)
InChIKeyZFCDLWUKULWPJT-UHFFFAOYSA-N
XLogP4.11
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327725
6-Hydroxy-1H-Indole-3-Acetamide
CID 286538
3-(5-hydroxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327673
Cyclo(-D-Trp-Tyr)
CID 7408398
2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone
CID 56835060
(3s,6s)-3-(4-Hydroxybenzyl)-6-(1h-Indol-3-Ylmethyl)piperazine-2,5-Dione
CID 7408259
[4-(4-fluorobenzyl)piperidine-1-yl]-(6-hydroxy-1H-indole-2-yl)-methanone
CID 9903141
3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indol-6-ol
CID 10315634
2-ethyl-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide
CID 10542836
4-[3-Hydroxy-5-(pyridin-3-ylamino)phenyl]-1,3-dihydroindol-2-one
CID 15604182
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-4-yl-1H-indol-2-one
CID 25060814
6,7-difluoro-3-(4-hydroxyphenyl)-3-pyridin-3-yl-1H-indol-2-one
CID 25061068

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide (CID 10667175) is 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide is O=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is ZFCDLWUKULWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-17-3-1-15(2-4-17)13-26-14-16(20-6-5-19(27)12-21(20)26)11-22(28)25-18-7-9-24-10-8-18/h1-10,12,14,27H,11,13H2,(H,24,25,28).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide?
2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 375.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-6-hydroxyindol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10667175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).