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

C29H25FN8O2 — CID 137245445

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

N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 137245445) has the molecular formula C29H25FN8O2 and a molecular weight of 536.57 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-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-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• PubChem CID: 137245445
• Molecular Formula: C29H25FN8O2
• Molecular Weight: 536.57 g/mol
• Exact Mass: 536.21
• IUPAC Name: N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C29H25FN8O2/c1-29(2,3)11-24(40)34-18-7-16(12-31-13-18)22-10-21-23(14-33-22)37-38-26(21)28-35-25-20(4-5-32-27(25)36-28)15-6-17(30)9-19(39)8-15/h4-10,12-14,39H,11H2,1-3H3,(H,34,40)(H,37,38)(H,32,35,36)
• InChIKey: HSZLBFQJABNJOZ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 145.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.57
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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-pyrazolo[3,4-c]pyridin-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-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 137245445) is N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-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-pyrazolo[3,4-c]pyridin-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-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is HSZLBFQJABNJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O2/c1-29(2,3)11-24(40)34-18-7-16(12-31-13-18)22-10-21-23(14-33-22)37-38-26(21)28-35-25-20(4-5-32-27(25)36-28)15-6-17(30)9-19(39)8-15/h4-10,12-14,39H,11H2,1-3H3,(H,34,40)(H,37,38)(H,32,35,36).

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

N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 536.57 g/mol, XLogP of 5.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 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-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 137245445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).