6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one

C24H26FN3O3 — CID 45161024

IUPAC6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one
SMILESCC(C)N1CC(OCc2ccc(F)cc2)CN(C(=O)c2cc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C24H26FN3O3/c1-16(2)28-13-20(31-15-17-7-9-19(25)10-8-17)12-27(14-23(28)29)24(30)22-11-18-5-3-4-6-21(18)26-22/h3-11,16,20,26H,12-15H2,1-2H3
InChIKeyYBNRQNNIPSSAQH-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.59
Rot. Bonds5

About 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one

6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one (PubChem CID 45161024) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one
PubChem CID45161024
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one
SMILESCC(C)N1CC(OCc2ccc(F)cc2)CN(C(=O)c2cc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C24H26FN3O3/c1-16(2)28-13-20(31-15-17-7-9-19(25)10-8-17)12-27(14-23(28)29)24(30)22-11-18-5-3-4-6-21(18)26-22/h3-11,16,20,26H,12-15H2,1-2H3
InChIKeyYBNRQNNIPSSAQH-UHFFFAOYSA-N
XLogP3.59
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,4-diazepan-2-one
CID 45160810
methyl 3-[4-(1H-indole-2-carbonyl)-6-[(3-methoxyphenyl)methoxy]-2-oxo-1,4-diazepan-1-yl]propanoate
CID 45165338
(6R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-6-[(4-fluorophenyl)methoxy]-1-propan-2-yl-1,4-diazepan-2-one
CID 26143337
(6S)-6-[(3,5-dimethoxyphenyl)methoxy]-1-propan-2-yl-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
CID 26221312
(6R)-1-propan-2-yl-4-(1,3-thiazole-5-carbonyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one
CID 26136489
1-propan-2-yl-4-(pyrazine-2-carbonyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one
CID 45162664
6-[(3,5-dimethoxyphenyl)methoxy]-4-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one
CID 45161390
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
1-propan-2-yl-4-(3-pyridin-4-ylpropanoyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one
CID 45160134
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 53037950

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one (CID 45161024) is 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one is CC(C)N1CC(OCc2ccc(F)cc2)CN(C(=O)c2cc3ccccc3[nH]2)CC1=O.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one?
The InChIKey is YBNRQNNIPSSAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-16(2)28-13-20(31-15-17-7-9-19(25)10-8-17)12-27(14-23(28)29)24(30)22-11-18-5-3-4-6-21(18)26-22/h3-11,16,20,26H,12-15H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one?
6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one has a molecular weight of 423.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-4-(1H-indole-2-carbonyl)-1-propan-2-yl-1,4-diazepan-2-one is sourced from PubChem (CID 45161024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).