N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

C31H25FN6O — CID 145245632

About N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145245632) has the molecular formula C31H25FN6O and a molecular weight of 516.58 g/mol. Its IUPAC name is N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 145245632
• Molecular Formula: C31H25FN6O
• Molecular Weight: 516.58 g/mol
• Exact Mass: 516.21
• IUPAC Name: N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2cnc3c(c2)C(c2cc4c(-c5ccccc5F)cccc4[nH]2)=C2NC2N3)c1
• InChI: InChI=1S/C31H25FN6O/c1-16(2)31(39)35-19-10-17(13-33-15-19)18-11-23-27(28-30(37-28)38-29(23)34-14-18)26-12-22-20(7-5-9-25(22)36-26)21-6-3-4-8-24(21)32/h3-16,30,36-37H,1-2H3,(H,34,38)(H,35,39)
• InChIKey: AQIKWLMGIWGFAN-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 104.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.58
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145245632) is N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2cnc3c(c2)C(c2cc4c(-c5ccccc5F)cccc4[nH]2)=C2NC2N3)c1.

What is the InChIKey of N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is AQIKWLMGIWGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN6O/c1-16(2)31(39)35-19-10-17(13-33-15-19)18-11-23-27(28-30(37-28)38-29(23)34-14-18)26-12-22-20(7-5-9-25(22)36-26)21-6-3-4-8-24(21)32/h3-16,30,36-37H,1-2H3,(H,34,38)(H,35,39).

What are the key properties of N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 516.58 g/mol, XLogP of 6.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[4-(2-fluorophenyl)-1H-indol-2-yl]-1a,2-dihydro-1H-azirino[2,3-b][1,8]naphthyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145245632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).