1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol

C29H25F2N7O — CID 137284252

About 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol

1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol (PubChem CID 137284252) has the molecular formula C29H25F2N7O and a molecular weight of 525.56 g/mol. Its IUPAC name is 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol.

Molecular Properties

• Compound Name: 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
• PubChem CID: 137284252
• Molecular Formula: C29H25F2N7O
• Molecular Weight: 525.56 g/mol
• Exact Mass: 525.21
• IUPAC Name: 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
• SMILES: CCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H25F2N7O/c1-2-3-4-24(39)34-20-11-18(14-32-15-20)17-12-21-26(22(31)13-17)37-38-27(21)29-35-23-9-10-33-25(28(23)36-29)16-5-7-19(30)8-6-16/h5-15,24,34,39H,2-4H2,1H3,(H,35,36)(H,37,38)
• InChIKey: BCSYNCOUMNHFGN-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 115.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.56
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?

The IUPAC name of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol (CID 137284252) is 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol.

What is the SMILES notation for 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?

The canonical SMILES for 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol is CCCCC(O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2)c1.

What is the InChIKey of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?

The InChIKey is BCSYNCOUMNHFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N7O/c1-2-3-4-24(39)34-20-11-18(14-32-15-20)17-12-21-26(22(31)13-17)37-38-27(21)29-35-23-9-10-33-25(28(23)36-29)16-5-7-19(30)8-6-16/h5-15,24,34,39H,2-4H2,1H3,(H,35,36)(H,37,38).

What are the key properties of 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol?

1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol has a molecular weight of 525.56 g/mol, XLogP of 6.43, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 137284252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).