N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

C20H17FN8 — CID 136944010

About N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 136944010) has the molecular formula C20H17FN8 and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 136944010
• Molecular Formula: C20H17FN8
• Molecular Weight: 388.41 g/mol
• Exact Mass: 388.16
• IUPAC Name: N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CCNCc1cncc(-c2ncc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C20H17FN8/c1-2-22-6-11-5-12(8-24-7-11)18-17(21)16-15(10-25-18)28-29-19(16)20-26-13-3-4-23-9-14(13)27-20/h3-5,7-10,22H,2,6H2,1H3,(H,26,27)(H,28,29)
• InChIKey: FVNRMKNAAPEBAP-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.41
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The IUPAC name of N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine (CID 136944010) is N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine.

What is the SMILES notation for N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine?

The canonical SMILES for N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ncc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2F)c1.

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

The InChIKey is FVNRMKNAAPEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8/c1-2-22-6-11-5-12(8-24-7-11)18-17(21)16-15(10-25-18)28-29-19(16)20-26-13-3-4-23-9-14(13)27-20/h3-5,7-10,22H,2,6H2,1H3,(H,26,27)(H,28,29).

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

N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 388.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 136944010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).