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

C24H22F2N4O3 — CID 86301308

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NCc4ccccn4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H22F2N4O3/c1-32-17-10-18(33-2)21(26)22(20(17)25)30-13-14-11-28-19(29-12-15-5-3-4-8-27-15)9-16(14)24(6-7-24)23(30)31/h3-5,8-11H,6-7,12-13H2,1-2H3,(H,28,29)
InChIKeyVIWMYZJWZCGRBF-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.96
Rot. Bonds6

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301308) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301308
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NCc4ccccn4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H22F2N4O3/c1-32-17-10-18(33-2)21(26)22(20(17)25)30-13-14-11-28-19(29-12-15-5-3-4-8-27-15)9-16(14)24(6-7-24)23(30)31/h3-5,8-11H,6-7,12-13H2,1-2H3,(H,28,29)
InChIKeyVIWMYZJWZCGRBF-UHFFFAOYSA-N
XLogP3.96
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)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

Related Compounds

US10131667, Example 59
CID 86705643
(3S)-1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 57326706
US10131667, Example 77
CID 72947402
US10131667, Example 37
CID 86705611
US10131667, Example 49
CID 86705636
5-[(2,6-difluoro-3,5-dimethoxy-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]anilino)methyl]pyrrolidin-2-one
CID 89534029
6-[(3,5-difluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 16028336
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-3,3,13-trimethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
CID 164612498
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-ethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,1'-cyclopropane]-4,12-dione
CID 164618305
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-(2-morpholin-4-ylethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
CID 164618827
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione
CID 164624773
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-[2-(4-methylpiperazin-1-yl)ethyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 164627296

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301308) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)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-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(NCc4ccccn4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is VIWMYZJWZCGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-32-17-10-18(33-2)21(26)22(20(17)25)30-13-14-11-28-19(29-12-15-5-3-4-8-27-15)9-16(14)24(6-7-24)23(30)31/h3-5,8-11H,6-7,12-13H2,1-2H3,(H,28,29).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 452.46 g/mol, XLogP of 3.96, 6 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-2-ylmethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).