5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine

C28H22F2N8 — CID 145033781

About 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine

5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine (PubChem CID 145033781) has the molecular formula C28H22F2N8 and a molecular weight of 508.54 g/mol. Its IUPAC name is 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
• PubChem CID: 145033781
• Molecular Formula: C28H22F2N8
• Molecular Weight: 508.54 g/mol
• Exact Mass: 508.19
• IUPAC Name: 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
• SMILES: C=C(CCC)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C28H22F2N8/c1-3-4-15(2)34-19-11-17(12-31-13-19)24-23(30)22-21(14-33-24)37-38-27(22)28-35-20-9-10-32-25(26(20)36-28)16-5-7-18(29)8-6-16/h5-14,34H,2-4H2,1H3,(H,35,36)(H,37,38)
• InChIKey: MNPBHJHFCDAIBC-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.54
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The IUPAC name of 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine (CID 145033781) is 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The canonical SMILES for 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine is C=C(CCC)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccc(F)cc6)nccc5[nH]4)c3c2F)c1.

What is the InChIKey of 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The InChIKey is MNPBHJHFCDAIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N8/c1-3-4-15(2)34-19-11-17(12-31-13-19)24-23(30)22-21(14-33-24)37-38-27(22)28-35-20-9-10-32-25(26(20)36-28)16-5-7-18(29)8-6-16/h5-14,34H,2-4H2,1H3,(H,35,36)(H,37,38).

What are the key properties of 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine has a molecular weight of 508.54 g/mol, XLogP of 6.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 145033781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).