N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C28H18FN5O3 — CID 141481761

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C28H18FN5O3/c29-22-16-18(8-9-24(22)37-23-11-14-31-25-20(23)10-13-30-25)33-27(35)21-15-17-5-4-12-32-26(17)34(28(21)36)19-6-2-1-3-7-19/h1-16H,(H,30,31)(H,33,35)
InChIKeyWSCIHXKETKCFDO-UHFFFAOYSA-N
MW491.48 g/mol
LogP5.45
Rot. Bonds5

About N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 141481761) has the molecular formula C28H18FN5O3 and a molecular weight of 491.48 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID141481761
Molecular FormulaC28H18FN5O3
Molecular Weight491.48 g/mol
Exact Mass491.14
IUPAC NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C28H18FN5O3/c29-22-16-18(8-9-24(22)37-23-11-14-31-25-20(23)10-13-30-25)33-27(35)21-15-17-5-4-12-32-26(17)34(28(21)36)19-6-2-1-3-7-19/h1-16H,(H,30,31)(H,33,35)
InChIKeyWSCIHXKETKCFDO-UHFFFAOYSA-N
XLogP5.45
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 55.45
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-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 141481761) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is WSCIHXKETKCFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN5O3/c29-22-16-18(8-9-24(22)37-23-11-14-31-25-20(23)10-13-30-25)33-27(35)21-15-17-5-4-12-32-26(17)34(28(21)36)19-6-2-1-3-7-19/h1-16H,(H,30,31)(H,33,35).
What are the key properties of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 491.48 g/mol, XLogP of 5.45, 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-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 141481761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).