N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide

C22H16FN9 — CID 137232603

About N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide

N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide (PubChem CID 137232603) has the molecular formula C22H16FN9 and a molecular weight of 425.43 g/mol. Its IUPAC name is N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

• Compound Name: N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide
• PubChem CID: 137232603
• Molecular Formula: C22H16FN9
• Molecular Weight: 425.43 g/mol
• Exact Mass: 425.15
• IUPAC Name: N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide
• SMILES: C=N/C=N/C=C(\C)c1ncc2[nH]nc(-c3nc4c(-c5ccccn5)cncc4[nH]3)c2c1F
• InChI: InChI=1S/C22H16FN9/c1-12(7-26-11-24-2)19-18(23)17-15(10-28-19)31-32-21(17)22-29-16-9-25-8-13(20(16)30-22)14-5-3-4-6-27-14/h3-11H,2H2,1H3,(H,29,30)(H,31,32)/b12-7+,26-11+
• InChIKey: VVSIDGVHCFQLIV-YQMJMFBOSA-N
• XLogP: 4.19
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.43
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide?

The IUPAC name of N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide (CID 137232603) is N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide.

What is the SMILES notation for N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide?

The canonical SMILES for N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide is C=N/C=N/C=C(\C)c1ncc2[nH]nc(-c3nc4c(-c5ccccn5)cncc4[nH]3)c2c1F.

What is the InChIKey of N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide?

The InChIKey is VVSIDGVHCFQLIV-YQMJMFBOSA-N. The full InChI is InChI=1S/C22H16FN9/c1-12(7-26-11-24-2)19-18(23)17-15(10-28-19)31-32-21(17)22-29-16-9-25-8-13(20(16)30-22)14-5-3-4-6-27-14/h3-11H,2H2,1H3,(H,29,30)(H,31,32)/b12-7+,26-11+.

What are the key properties of N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide?

N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 425.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(E)-2-[4-fluoro-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 137232603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).