N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide

C15H8F5N3O2 — CID 59740996

IUPACN-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(F)c(Oc2ccnc3[nH]ccc23)c(F)c1)C(F)(F)F
InChIInChI=1S/C15H8F5N3O2/c16-9-5-7(23-14(24)15(18,19)20)6-10(17)12(9)25-11-2-4-22-13-8(11)1-3-21-13/h1-6H,(H,21,22)(H,23,24)
InChIKeyPWLSACUMNZSNKK-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.13
Rot. Bonds3

About N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide

N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 59740996) has the molecular formula C15H8F5N3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide
PubChem CID59740996
Molecular FormulaC15H8F5N3O2
Molecular Weight357.24 g/mol
Exact Mass357.05
IUPAC NameN-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(F)c(Oc2ccnc3[nH]ccc23)c(F)c1)C(F)(F)F
InChIInChI=1S/C15H8F5N3O2/c16-9-5-7(23-14(24)15(18,19)20)6-10(17)12(9)25-11-2-4-22-13-8(11)1-3-21-13/h1-6H,(H,21,22)(H,23,24)
InChIKeyPWLSACUMNZSNKK-UHFFFAOYSA-N
XLogP4.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(2-methylbutan-2-ylamino)acetamide
CID 59819813
[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-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(propylamino)acetamide
CID 59819825
(2R)-2-amino-N-cyclohexyl-3-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 135260959
4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 141134187
N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide
CID 58799072
2,2,2-trifluoro-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]acetamide
CID 170214177
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-[[3-methoxy-2-(methoxymethyl)-2-methylpropyl]amino]acetamide
CID 59819767
3-amino-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]cyclopentane-1-carboxamide
CID 59819787
4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 58733331
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
N-[3,5-difluoro-4-[[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]azetidine-1-carboxamide
CID 137362257

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide (CID 59740996) is N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cc(F)c(Oc2ccnc3[nH]ccc23)c(F)c1)C(F)(F)F.
What is the InChIKey of N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is PWLSACUMNZSNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O2/c16-9-5-7(23-14(24)15(18,19)20)6-10(17)12(9)25-11-2-4-22-13-8(11)1-3-21-13/h1-6H,(H,21,22)(H,23,24).
What are the key properties of N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide?
N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 357.24 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59740996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).