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

C24H16FN5O3 — CID 21081771

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccn2)c1=O
InChIInChI=1S/C24H16FN5O3/c25-18-14-15(6-7-20(18)33-19-9-12-28-22-16(19)8-11-27-22)29-23(31)17-4-3-13-30(24(17)32)21-5-1-2-10-26-21/h1-14H,(H,27,28)(H,29,31)
InChIKeyCKDFZTKKHWVVPB-UHFFFAOYSA-N
MW441.42 g/mol
LogP4.29
Rot. Bonds5

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

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 21081771) has the molecular formula C24H16FN5O3 and a molecular weight of 441.42 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide
PubChem CID21081771
Molecular FormulaC24H16FN5O3
Molecular Weight441.42 g/mol
Exact Mass441.12
IUPAC NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccn2)c1=O
InChIInChI=1S/C24H16FN5O3/c25-18-14-15(6-7-20(18)33-19-9-12-28-22-16(19)8-11-27-22)29-23(31)17-4-3-13-30(24(17)32)21-5-1-2-10-26-21/h1-14H,(H,27,28)(H,29,31)
InChIKeyCKDFZTKKHWVVPB-UHFFFAOYSA-N
XLogP4.29
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-oxo-1-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide (CID 21081771) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccn2)c1=O.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is CKDFZTKKHWVVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O3/c25-18-14-15(6-7-20(18)33-19-9-12-28-22-16(19)8-11-27-22)29-23(31)17-4-3-13-30(24(17)32)21-5-1-2-10-26-21/h1-14H,(H,27,28)(H,29,31).
What are the key properties of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 441.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-oxo-1-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 21081771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).