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

C24H27F2N3O3 — CID 86301630

IUPAC6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NC4CCCCC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H27F2N3O3/c1-31-17-11-18(32-2)21(26)22(20(17)25)29-13-14-12-27-19(28-15-6-4-3-5-7-15)10-16(14)24(8-9-24)23(29)30/h10-12,15H,3-9,13H2,1-2H3,(H,27,28)
InChIKeyOPTQIQIKSBUZNX-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.70
Rot. Bonds5

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

6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301630) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301630
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NC4CCCCC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H27F2N3O3/c1-31-17-11-18(32-2)21(26)22(20(17)25)29-13-14-12-27-19(28-15-6-4-3-5-7-15)10-16(14)24(8-9-24)23(29)30/h10-12,15H,3-9,13H2,1-2H3,(H,27,28)
InChIKeyOPTQIQIKSBUZNX-UHFFFAOYSA-N
XLogP4.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide
CID 122477605
N-[2-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]phenyl]prop-2-enamide
CID 121293466
benzene;7-(2,6-difluoro-3-methoxy-5-methylphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-carbonitrile
CID 159744673
N-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-2-pyridinyl]prop-2-enamide
CID 122477032
N-[3-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]phenyl]prop-2-enamide
CID 122482564
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(5-imidazol-1-yl-3-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
CID 122483333
6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
CID 171735994
7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
CID 86705715
N-[3-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-5-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 122476610
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-[4-(morpholin-4-ylmethyl)-3-(2-oxobut-3-enyl)phenyl]spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
CID 146926807
13-cyclopentyl-11-(2,6-difluoro-3,5-dimethoxyphenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 129193168
tert-butyl 7-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methyl-8-oxospiro[6H-pyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylate
CID 123327795

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301630) is 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(NC4CCCCC4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is OPTQIQIKSBUZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-31-17-11-18(32-2)21(26)22(20(17)25)29-13-14-12-27-19(28-15-6-4-3-5-7-15)10-16(14)24(8-9-24)23(29)30/h10-12,15H,3-9,13H2,1-2H3,(H,27,28).
What are the key properties of 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 443.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).