4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

C25H16F2N4O2 — CID 127036567

IUPAC4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc(-c2ccc(F)cc2)ccn1
InChIInChI=1S/C25H16F2N4O2/c26-17-3-1-15(2-4-17)16-7-10-28-21(13-16)25(32)31-18-5-6-23(20(27)14-18)33-22-9-12-30-24-19(22)8-11-29-24/h1-14H,(H,29,30)(H,31,32)
InChIKeyVBZXACBQZXSDCB-UHFFFAOYSA-N
MW442.43 g/mol
LogP5.95
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (PubChem CID 127036567) has the molecular formula C25H16F2N4O2 and a molecular weight of 442.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
PubChem CID127036567
Molecular FormulaC25H16F2N4O2
Molecular Weight442.43 g/mol
Exact Mass442.12
IUPAC Name4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc(-c2ccc(F)cc2)ccn1
InChIInChI=1S/C25H16F2N4O2/c26-17-3-1-15(2-4-17)16-7-10-28-21(13-16)25(32)31-18-5-6-23(20(27)14-18)33-22-9-12-30-24-19(22)8-11-29-24/h1-14H,(H,29,30)(H,31,32)
InChIKeyVBZXACBQZXSDCB-UHFFFAOYSA-N
XLogP5.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.43
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (CID 127036567) is 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc(-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
The InChIKey is VBZXACBQZXSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N4O2/c26-17-3-1-15(2-4-17)16-7-10-28-21(13-16)25(32)31-18-5-6-23(20(27)14-18)33-22-9-12-30-24-19(22)8-11-29-24/h1-14H,(H,29,30)(H,31,32).
What are the key properties of 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?
4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide has a molecular weight of 442.43 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127036567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).