N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide

C28H24FN7O2 — CID 145034343

About N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide

N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide (PubChem CID 145034343) has the molecular formula C28H24FN7O2 and a molecular weight of 509.55 g/mol. Its IUPAC name is N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide.

Molecular Properties

• Compound Name: N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide
• PubChem CID: 145034343
• Molecular Formula: C28H24FN7O2
• Molecular Weight: 509.55 g/mol
• Exact Mass: 509.20
• IUPAC Name: N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide
• SMILES: CCCCC(=O)NC1=CC(c2cc(F)c3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)=CN2CC12
• InChI: InChI=1S/C28H24FN7O2/c1-2-3-4-23(37)31-21-11-17(12-36-13-22(21)36)16-9-18-25(19(29)10-16)34-35-26(18)28-32-20-5-7-30-24(27(20)33-28)15-6-8-38-14-15/h5-12,14,22H,2-4,13H2,1H3,(H,31,37)(H,32,33)(H,34,35)
• InChIKey: KMWFFOJVNYALQK-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 115.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.55
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide?

The IUPAC name of N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide (CID 145034343) is N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide.

What is the SMILES notation for N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide?

The canonical SMILES for N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide is CCCCC(=O)NC1=CC(c2cc(F)c3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)=CN2CC12.

What is the InChIKey of N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide?

The InChIKey is KMWFFOJVNYALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2/c1-2-3-4-23(37)31-21-11-17(12-36-13-22(21)36)16-9-18-25(19(29)10-16)34-35-26(18)28-32-20-5-7-30-24(27(20)33-28)15-6-8-38-14-15/h5-12,14,22H,2-4,13H2,1H3,(H,31,37)(H,32,33)(H,34,35).

What are the key properties of N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide?

N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide has a molecular weight of 509.55 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-1-azabicyclo[4.1.0]hepta-2,4-dien-5-yl]pentanamide is sourced from PubChem (CID 145034343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).