2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

C23H18F3N3O3 — CID 122483342

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(F)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H18F3N3O3/c1-31-17-7-18(32-2)20(26)21(19(17)25)29-11-13-9-28-16(12-5-14(24)10-27-8-12)6-15(13)23(3-4-23)22(29)30/h5-10H,3-4,11H2,1-2H3
InChIKeyBUESLRRHEILKRP-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.16
Rot. Bonds4

About 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 122483342) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID122483342
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(F)c4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H18F3N3O3/c1-31-17-7-18(32-2)20(26)21(19(17)25)29-11-13-9-28-16(12-5-14(24)10-27-8-12)6-15(13)23(3-4-23)22(29)30/h5-10H,3-4,11H2,1-2H3
InChIKeyBUESLRRHEILKRP-UHFFFAOYSA-N
XLogP4.16
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one 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 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 122483342) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(F)c4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is BUESLRRHEILKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-31-17-7-18(32-2)20(26)21(19(17)25)29-11-13-9-28-16(12-5-14(24)10-27-8-12)6-15(13)23(3-4-23)22(29)30/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 441.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-fluoro-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 122483342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).