N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide

C23H26FN3O2 — CID 142405271

IUPACN-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
SMILESCc1c[nH]c2nccc(Oc3ccc(CCC(=O)NC4CCCCC4)cc3F)c12
InChIInChI=1S/C23H26FN3O2/c1-15-14-26-23-22(15)20(11-12-25-23)29-19-9-7-16(13-18(19)24)8-10-21(28)27-17-5-3-2-4-6-17/h7,9,11-14,17H,2-6,8,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyYEHWDIDJRZAHFS-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.18
Rot. Bonds6

About N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide

N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide (PubChem CID 142405271) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
PubChem CID142405271
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
SMILESCc1c[nH]c2nccc(Oc3ccc(CCC(=O)NC4CCCCC4)cc3F)c12
InChIInChI=1S/C23H26FN3O2/c1-15-14-26-23-22(15)20(11-12-25-23)29-19-9-7-16(13-18(19)24)8-10-21(28)27-17-5-3-2-4-6-17/h7,9,11-14,17H,2-6,8,10H2,1H3,(H,25,26)(H,27,28)
InChIKeyYEHWDIDJRZAHFS-UHFFFAOYSA-N
XLogP5.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl]-N-cyclohexylpropanamide
CID 135261017
2-amino-N-cyclohexyl-3-[3-fluoro-4-[[3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]propanamide
CID 135260941
2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(1-methylpyrrolidin-3-yl)propanamide
CID 166730256
(2S)-2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]propanamide
CID 146301870
2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N,N-dimethylpropanamide
CID 146301862
2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)propan-1-one
CID 135260894
(2S)-2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-[(1-methylazetidin-3-yl)methyl]propanamide
CID 135260805
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
(2S)-2-amino-1-[3-[(dimethylamino)methyl]azetidin-1-yl]-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propan-1-one
CID 135260719
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide (CID 142405271) is N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide is Cc1c[nH]c2nccc(Oc3ccc(CCC(=O)NC4CCCCC4)cc3F)c12.
What is the InChIKey of N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
The InChIKey is YEHWDIDJRZAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-14-26-23-22(15)20(11-12-25-23)29-19-9-7-16(13-18(19)24)8-10-21(28)27-17-5-3-2-4-6-17/h7,9,11-14,17H,2-6,8,10H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide?
N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide has a molecular weight of 395.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 142405271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).