5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

C36H32FN9 — CID 145038084

About 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (PubChem CID 145038084) has the molecular formula C36H32FN9 and a molecular weight of 609.71 g/mol. Its IUPAC name is 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• PubChem CID: 145038084
• Molecular Formula: C36H32FN9
• Molecular Weight: 609.71 g/mol
• Exact Mass: 609.28
• IUPAC Name: 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cc(F)cc(CCCN(C)C)c6)ccnc5[nH]4)c3c2)c1)c1ccccc1
• InChI: InChI=1S/C36H32FN9/c1-22(24-9-5-4-6-10-24)41-29-17-26(19-38-21-29)27-18-31-33(44-45-34(31)40-20-27)36-42-32-30(11-12-39-35(32)43-36)25-14-23(15-28(37)16-25)8-7-13-46(2)3/h4-6,9-12,14-21,41H,1,7-8,13H2,2-3H3,(H,39,42,43)(H,40,44,45)
• InChIKey: XYSAQJLWCFAIGA-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 111.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.71
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The IUPAC name of 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (CID 145038084) is 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

What is the SMILES notation for 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The canonical SMILES for 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is C=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cc(F)cc(CCCN(C)C)c6)ccnc5[nH]4)c3c2)c1)c1ccccc1.

What is the InChIKey of 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

The InChIKey is XYSAQJLWCFAIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32FN9/c1-22(24-9-5-4-6-10-24)41-29-17-26(19-38-21-29)27-18-31-33(44-45-34(31)40-20-27)36-42-32-30(11-12-39-35(32)43-36)25-14-23(15-28(37)16-25)8-7-13-46(2)3/h4-6,9-12,14-21,41H,1,7-8,13H2,2-3H3,(H,39,42,43)(H,40,44,45).

What are the key properties of 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine?

5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine has a molecular weight of 609.71 g/mol, XLogP of 7.34, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 145038084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).