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

C25H17FN4O3 — CID 21081770

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccc2)c1=O
InChIInChI=1S/C25H17FN4O3/c26-20-15-16(8-9-22(20)33-21-11-13-28-23-18(21)10-12-27-23)29-24(31)19-7-4-14-30(25(19)32)17-5-2-1-3-6-17/h1-15H,(H,27,28)(H,29,31)
InChIKeyXUKXSDZCMRYFRY-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.90
Rot. Bonds5

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

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 21081770) has the molecular formula C25H17FN4O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
PubChem CID21081770
Molecular FormulaC25H17FN4O3
Molecular Weight440.43 g/mol
Exact Mass440.13
IUPAC NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccc2)c1=O
InChIInChI=1S/C25H17FN4O3/c26-20-15-16(8-9-22(20)33-21-11-13-28-23-18(21)10-12-27-23)29-24(31)19-7-4-14-30(25(19)32)17-5-2-1-3-6-17/h1-15H,(H,27,28)(H,29,31)
InChIKeyXUKXSDZCMRYFRY-UHFFFAOYSA-N
XLogP4.90
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 21081770) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is XUKXSDZCMRYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O3/c26-20-15-16(8-9-22(20)33-21-11-13-28-23-18(21)10-12-27-23)29-24(31)19-7-4-14-30(25(19)32)17-5-2-1-3-6-17/h1-15H,(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-phenylpyridine-3-carboxamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-phenylpyridine-3-carboxamide is sourced from PubChem (CID 21081770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).