N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide

C30H26FN7O2 — CID 136938112

About N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide

N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 136938112) has the molecular formula C30H26FN7O2 and a molecular weight of 535.58 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• PubChem CID: 136938112
• Molecular Formula: C30H26FN7O2
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.21
• IUPAC Name: N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H26FN7O2/c1-30(2,3)13-25(40)34-20-9-18(14-32-15-20)16-4-5-24-23(11-16)27(38-37-24)29-35-26-22(6-7-33-28(26)36-29)17-8-19(31)12-21(39)10-17/h4-12,14-15,39H,13H2,1-3H3,(H,34,40)(H,37,38)(H,33,35,36)
• InChIKey: ZXVBWVNISSTZDC-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 132.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 136938112) is N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?

The InChIKey is ZXVBWVNISSTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O2/c1-30(2,3)13-25(40)34-20-9-18(14-32-15-20)16-4-5-24-23(11-16)27(38-37-24)29-35-26-22(6-7-33-28(26)36-29)17-8-19(31)12-21(39)10-17/h4-12,14-15,39H,13H2,1-3H3,(H,34,40)(H,37,38)(H,33,35,36).

What are the key properties of N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?

N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 535.58 g/mol, XLogP of 6.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 136938112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).