N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C32H32FN9O2 — CID 136947430

About N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 136947430) has the molecular formula C32H32FN9O2 and a molecular weight of 593.67 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 136947430
• Molecular Formula: C32H32FN9O2
• Molecular Weight: 593.67 g/mol
• Exact Mass: 593.27
• IUPAC Name: N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
• SMILES: CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)nc23)c1
• InChI: InChI=1S/C32H32FN9O2/c1-32(2,3)31(43)37-21-9-19(13-34-14-21)25-12-23-26(17-36-25)40-41-29(23)30-38-27-16-35-15-24(28(27)39-30)18-8-20(33)11-22(10-18)44-7-6-42(4)5/h8-17H,6-7H2,1-5H3,(H,37,43)(H,38,39)(H,40,41)
• InChIKey: GYJBHBTYHDJKPN-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 137.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.67
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 136947430) is N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CN(C)CCOc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C(C)(C)C)c6)cc45)nc23)c1.

What is the InChIKey of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is GYJBHBTYHDJKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9O2/c1-32(2,3)31(43)37-21-9-19(13-34-14-21)25-12-23-26(17-36-25)40-41-29(23)30-38-27-16-35-15-24(28(27)39-30)18-8-20(33)11-22(10-18)44-7-6-42(4)5/h8-17H,6-7H2,1-5H3,(H,37,43)(H,38,39)(H,40,41).

What are the key properties of N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?

N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 593.67 g/mol, XLogP of 5.69, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136947430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).