N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide

C23H19FN4O4 — CID 58799072

IUPACN'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1
InChIInChI=1S/C23H19FN4O4/c1-31-16-4-2-3-14(11-16)27-21(29)13-22(30)28-15-5-6-20(18(24)12-15)32-19-8-10-26-23-17(19)7-9-25-23/h2-12H,13H2,1H3,(H,25,26)(H,27,29)(H,28,30)
InChIKeyCBYUMGSUMMGZBG-UHFFFAOYSA-N
MW434.43 g/mol
LogP4.47
Rot. Bonds7

About N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide

N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide (PubChem CID 58799072) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide
PubChem CID58799072
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1
InChIInChI=1S/C23H19FN4O4/c1-31-16-4-2-3-14(11-16)27-21(29)13-22(30)28-15-5-6-20(18(24)12-15)32-19-8-10-26-23-17(19)7-9-25-23/h2-12H,13H2,1H3,(H,25,26)(H,27,29)(H,28,30)
InChIKeyCBYUMGSUMMGZBG-UHFFFAOYSA-N
XLogP4.47
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(propylamino)acetamide
CID 59819825
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(2-methylbutan-2-ylamino)acetamide
CID 59819813
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-[[3-methoxy-2-(methoxymethyl)-2-methylpropyl]amino]acetamide
CID 59819767
[2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)anilino]-2-oxoethyl]-(2-methylbutan-2-yl)azanium chloride
CID 157277106
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 58799048
N'-[3-fluoro-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-N-(4-fluorophenyl)propanediamide;hydrochloride
CID 131726247
3-amino-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]cyclopentane-1-carboxamide
CID 59819787
4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 141134187
5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
CID 21081774
1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481088
tert-butyl N-[3-[[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl]cyclopentyl]carbamate
CID 59819804
N'-(3-fluoro-2-methylphenyl)-2-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanediamide
CID 69203398

Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide?
The IUPAC name of N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide (CID 58799072) is N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide is COc1cccc(NC(=O)CC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1.
What is the InChIKey of N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide?
The InChIKey is CBYUMGSUMMGZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-31-16-4-2-3-14(11-16)27-21(29)13-22(30)28-15-5-6-20(18(24)12-15)32-19-8-10-26-23-17(19)7-9-25-23/h2-12H,13H2,1H3,(H,25,26)(H,27,29)(H,28,30).
What are the key properties of N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide?
N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide has a molecular weight of 434.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide is sourced from PubChem (CID 58799072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).