N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C27H17FN6O3 — CID 155679208

IUPACN-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1)c1cn(-c2ccccc2)c2ncccc2c1=O
InChIInChI=1S/C27H17FN6O3/c28-21-13-16(8-9-22(21)37-27-19-10-12-29-24(19)31-15-32-27)33-26(36)20-14-34(17-5-2-1-3-6-17)25-18(23(20)35)7-4-11-30-25/h1-15H,(H,33,36)(H,29,31,32)
InChIKeyJLAREIAFZSMENJ-UHFFFAOYSA-N
MW492.47 g/mol
LogP4.84
Rot. Bonds5

About N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 155679208) has the molecular formula C27H17FN6O3 and a molecular weight of 492.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID155679208
Molecular FormulaC27H17FN6O3
Molecular Weight492.47 g/mol
Exact Mass492.13
IUPAC NameN-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1)c1cn(-c2ccccc2)c2ncccc2c1=O
InChIInChI=1S/C27H17FN6O3/c28-21-13-16(8-9-22(21)37-27-19-10-12-29-24(19)31-15-32-27)33-26(36)20-14-34(17-5-2-1-3-6-17)25-18(23(20)35)7-4-11-30-25/h1-15H,(H,33,36)(H,29,31,32)
InChIKeyJLAREIAFZSMENJ-UHFFFAOYSA-N
XLogP4.84
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 155679208) is N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1)c1cn(-c2ccccc2)c2ncccc2c1=O.
What is the InChIKey of N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is JLAREIAFZSMENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN6O3/c28-21-13-16(8-9-22(21)37-27-19-10-12-29-24(19)31-15-32-27)33-26(36)20-14-34(17-5-2-1-3-6-17)25-18(23(20)35)7-4-11-30-25/h1-15H,(H,33,36)(H,29,31,32).
What are the key properties of N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 492.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155679208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).