N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide

C19H14FN3O2S — CID 59819792

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C19H14FN3O2S/c20-15-10-13(23-18(24)9-12-5-8-26-11-12)1-2-17(15)25-16-4-7-22-19-14(16)3-6-21-19/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeySARGTZSBYQRWEB-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.74
Rot. Bonds5

About N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 59819792) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide
PubChem CID59819792
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C19H14FN3O2S/c20-15-10-13(23-18(24)9-12-5-8-26-11-12)1-2-17(15)25-16-4-7-22-19-14(16)3-6-21-19/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeySARGTZSBYQRWEB-UHFFFAOYSA-N
XLogP4.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide (CID 59819792) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is SARGTZSBYQRWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-15-10-13(23-18(24)9-12-5-8-26-11-12)1-2-17(15)25-16-4-7-22-19-14(16)3-6-21-19/h1-8,10-11H,9H2,(H,21,22)(H,23,24).
What are the key properties of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 367.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 59819792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).