N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide

C30H29F3N6O5 — CID 175488283

About N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide

N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide (PubChem CID 175488283) has the molecular formula C30H29F3N6O5 and a molecular weight of 610.59 g/mol. Its IUPAC name is N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide
• PubChem CID: 175488283
• Molecular Formula: C30H29F3N6O5
• Molecular Weight: 610.59 g/mol
• Exact Mass: 610.22
• IUPAC Name: N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(C2CNCCO2)c(F)cc1Nc1cc2c(cn1)CN(c1c(F)c(OC)nc(OC)c1F)C(=O)C21CC1
• InChI: InChI=1S/C30H29F3N6O5/c1-4-23(40)37-19-9-16(21-13-34-7-8-44-21)18(31)11-20(19)36-22-10-17-15(12-35-22)14-39(29(41)30(17)5-6-30)26-24(32)27(42-2)38-28(43-3)25(26)33/h4,9-12,21,34H,1,5-8,13-14H2,2-3H3,(H,35,36)(H,37,40)
• InChIKey: CVPCCOBSJPEWOZ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 126.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.59
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide?

The IUPAC name of N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide (CID 175488283) is N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide.

What is the SMILES notation for N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide?

The canonical SMILES for N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide is C=CC(=O)Nc1cc(C2CNCCO2)c(F)cc1Nc1cc2c(cn1)CN(c1c(F)c(OC)nc(OC)c1F)C(=O)C21CC1.

What is the InChIKey of N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide?

The InChIKey is CVPCCOBSJPEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N6O5/c1-4-23(40)37-19-9-16(21-13-34-7-8-44-21)18(31)11-20(19)36-22-10-17-15(12-35-22)14-39(29(41)30(17)5-6-30)26-24(32)27(42-2)38-28(43-3)25(26)33/h4,9-12,21,34H,1,5-8,13-14H2,2-3H3,(H,35,36)(H,37,40).

What are the key properties of N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide?

N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide has a molecular weight of 610.59 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]amino]-4-fluoro-5-morpholin-2-ylphenyl]prop-2-enamide is sourced from PubChem (CID 175488283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).