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

C24H16FN5O3 — CID 21081772

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2cccnc2)c1=O
InChIInChI=1S/C24H16FN5O3/c25-19-13-15(5-6-21(19)33-20-8-11-28-22-17(20)7-10-27-22)29-23(31)18-4-2-12-30(24(18)32)16-3-1-9-26-14-16/h1-14H,(H,27,28)(H,29,31)
InChIKeyQNUMETKRNAQBDZ-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-3-ylpyridine-3-carboxamide

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 21081772) 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-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
PubChem CID21081772
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-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2cccnc2)c1=O
InChIInChI=1S/C24H16FN5O3/c25-19-13-15(5-6-21(19)33-20-8-11-28-22-17(20)7-10-27-22)29-23(31)18-4-2-12-30(24(18)32)16-3-1-9-26-14-16/h1-14H,(H,27,28)(H,29,31)
InChIKeyQNUMETKRNAQBDZ-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-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide (CID 21081772) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-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-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2cccnc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is QNUMETKRNAQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O3/c25-19-13-15(5-6-21(19)33-20-8-11-28-22-17(20)7-10-27-22)29-23(31)18-4-2-12-30(24(18)32)16-3-1-9-26-14-16/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-3-ylpyridine-3-carboxamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-pyridin-3-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-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 21081772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).