2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine

C32H34FN7 — CID 145245303

About 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine

2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine (PubChem CID 145245303) has the molecular formula C32H34FN7 and a molecular weight of 535.67 g/mol. Its IUPAC name is 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine
• PubChem CID: 145245303
• Molecular Formula: C32H34FN7
• Molecular Weight: 535.67 g/mol
• Exact Mass: 535.29
• IUPAC Name: 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine
• SMILES: C=C(c1nc2c(-c3cc(F)cc(CCCN(C)C)c3)nccc2[nH]1)c1nc(-c2cncc(CC)c2)ccc1NC
• InChI: InChI=1S/C32H34FN7/c1-6-21-14-24(19-35-18-21)26-9-10-27(34-3)29(37-26)20(2)32-38-28-11-12-36-30(31(28)39-32)23-15-22(16-25(33)17-23)8-7-13-40(4)5/h9-12,14-19,34H,2,6-8,13H2,1,3-5H3,(H,38,39)
• InChIKey: FPIXOZLWMBNWEZ-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine?

The IUPAC name of 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine (CID 145245303) is 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine.

What is the SMILES notation for 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine?

The canonical SMILES for 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine is C=C(c1nc2c(-c3cc(F)cc(CCCN(C)C)c3)nccc2[nH]1)c1nc(-c2cncc(CC)c2)ccc1NC.

What is the InChIKey of 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine?

The InChIKey is FPIXOZLWMBNWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7/c1-6-21-14-24(19-35-18-21)26-9-10-27(34-3)29(37-26)20(2)32-38-28-11-12-36-30(31(28)39-32)23-15-22(16-25(33)17-23)8-7-13-40(4)5/h9-12,14-19,34H,2,6-8,13H2,1,3-5H3,(H,38,39).

What are the key properties of 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine?

2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine has a molecular weight of 535.67 g/mol, XLogP of 6.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-6-(5-ethyl-3-pyridinyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 145245303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).