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

C26H22F2N4O4 — CID 122477032

About 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

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 (PubChem CID 122477032) has the molecular formula C26H22F2N4O4 and a molecular weight of 492.48 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 122477032
• Molecular Formula: C26H22F2N4O4
• Molecular Weight: 492.48 g/mol
• Exact Mass: 492.16
• IUPAC Name: 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
• SMILES: C=CC(=O)Nc1cc(-c2cc3c(cn2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C32CC2)ccn1
• InChI: InChI=1S/C26H22F2N4O4/c1-4-21(33)31-20-9-14(5-8-29-20)17-10-16-15(12-30-17)13-32(25(34)26(16)6-7-26)24-22(27)18(35-2)11-19(36-3)23(24)28/h4-5,8-12H,1,6-7,13H2,2-3H3,(H,29,31,33)
• InChIKey: UGROMKOQSBRWOA-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.48
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=CC(=O)Nc1cc(-c2cc3c(cn2)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C32CC2)ccn1.

What is the InChIKey of 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?

The InChIKey is UGROMKOQSBRWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O4/c1-4-21(33)31-20-9-14(5-8-29-20)17-10-16-15(12-30-17)13-32(25(34)26(16)6-7-26)24-22(27)18(35-2)11-19(36-3)23(24)28/h4-5,8-12H,1,6-7,13H2,2-3H3,(H,29,31,33).

What are the key properties of 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?

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 has a molecular weight of 492.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 122477032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).