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

C26H25F2N3O3 — CID 86301474

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N[C@H](C)c4ccccc4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C26H25F2N3O3/c1-15(16-7-5-4-6-8-16)30-21-11-18-17(13-29-21)14-31(25(32)26(18)9-10-26)24-22(27)19(33-2)12-20(34-3)23(24)28/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,29,30)/t15-/m1/s1
InChIKeyVVIZKMACHQLJHX-OAHLLOKOSA-N
MW465.50 g/mol
LogP5.13
Rot. Bonds6

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301474) has the molecular formula C26H25F2N3O3 and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301474
Molecular FormulaC26H25F2N3O3
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N[C@H](C)c4ccccc4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C26H25F2N3O3/c1-15(16-7-5-4-6-8-16)30-21-11-18-17(13-29-21)14-31(25(32)26(18)9-10-26)24-22(27)19(33-2)12-20(34-3)23(24)28/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,29,30)/t15-/m1/s1
InChIKeyVVIZKMACHQLJHX-OAHLLOKOSA-N
XLogP5.13
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301474) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(N[C@H](C)c4ccccc4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is VVIZKMACHQLJHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H25F2N3O3/c1-15(16-7-5-4-6-8-16)30-21-11-18-17(13-29-21)14-31(25(32)26(18)9-10-26)24-22(27)19(33-2)12-20(34-3)23(24)28/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,29,30)/t15-/m1/s1.
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 465.50 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 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-[[(1R)-1-phenylethyl]amino]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).