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

C23H20F2N4O3 — CID 86301470

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(Nc4cccnc4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H20F2N4O3/c1-31-16-9-17(32-2)20(25)21(19(16)24)29-12-13-10-27-18(28-14-4-3-7-26-11-14)8-15(13)23(5-6-23)22(29)30/h3-4,7-11H,5-6,12H2,1-2H3,(H,27,28)
InChIKeyBFUHISFXTSUKRS-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.09
Rot. Bonds5

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301470) has the molecular formula C23H20F2N4O3 and a molecular weight of 438.43 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301470
Molecular FormulaC23H20F2N4O3
Molecular Weight438.43 g/mol
Exact Mass438.15
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(Nc4cccnc4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C23H20F2N4O3/c1-31-16-9-17(32-2)20(25)21(19(16)24)29-12-13-10-27-18(28-14-4-3-7-26-11-14)8-15(13)23(5-6-23)22(29)30/h3-4,7-11H,5-6,12H2,1-2H3,(H,27,28)
InChIKeyBFUHISFXTSUKRS-UHFFFAOYSA-N
XLogP4.09
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301470) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(Nc4cccnc4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is BFUHISFXTSUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3/c1-31-16-9-17(32-2)20(25)21(19(16)24)29-12-13-10-27-18(28-14-4-3-7-26-11-14)8-15(13)23(5-6-23)22(29)30/h3-4,7-11H,5-6,12H2,1-2H3,(H,27,28).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 438.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-3-ylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).