N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C26H24FN5O2 — CID 177212675

About N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177212675) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 177212675
• Molecular Formula: C26H24FN5O2
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.19
• IUPAC Name: N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: Cc1ncc(C#Cc2ncc(N3C[C@H]4CC[C@@H]3CO4)cc2F)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C26H24FN5O2/c1-15-22-12-30-25(31-26(33)16-2-3-16)9-21(22)17(10-28-15)4-7-24-23(27)8-19(11-29-24)32-13-20-6-5-18(32)14-34-20/h8-12,16,18,20H,2-3,5-6,13-14H2,1H3,(H,30,31,33)/t18-,20-/m1/s1
• InChIKey: ZGBVWWYOWDZVRS-UYAOXDASSA-N
• XLogP: 3.59
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177212675) is N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(C#Cc2ncc(N3C[C@H]4CC[C@@H]3CO4)cc2F)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is ZGBVWWYOWDZVRS-UYAOXDASSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-15-22-12-30-25(31-26(33)16-2-3-16)9-21(22)17(10-28-15)4-7-24-23(27)8-19(11-29-24)32-13-20-6-5-18(32)14-34-20/h8-12,16,18,20H,2-3,5-6,13-14H2,1H3,(H,30,31,33)/t18-,20-/m1/s1.

What are the key properties of N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[3-fluoro-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]-2-pyridinyl]ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177212675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).