3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine

C25H19FN6 — CID 137032917

About 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine

3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137032917) has the molecular formula C25H19FN6 and a molecular weight of 422.47 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137032917
• Molecular Formula: C25H19FN6
• Molecular Weight: 422.47 g/mol
• Exact Mass: 422.17
• IUPAC Name: 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: CC1C=C(c2ccccc2F)c2nc(-c3n[nH]c4ccc(-c5ccccn5)nc34)[nH]c2C1
• InChI: InChI=1S/C25H19FN6/c1-14-12-16(15-6-2-3-7-17(15)26)22-21(13-14)29-25(30-22)24-23-20(31-32-24)10-9-19(28-23)18-8-4-5-11-27-18/h2-12,14H,13H2,1H3,(H,29,30)(H,31,32)
• InChIKey: UVOGRUNMXSFYTI-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.47
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine (CID 137032917) is 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is CC1C=C(c2ccccc2F)c2nc(-c3n[nH]c4ccc(-c5ccccn5)nc34)[nH]c2C1.

What is the InChIKey of 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is UVOGRUNMXSFYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6/c1-14-12-16(15-6-2-3-7-17(15)26)22-21(13-14)29-25(30-22)24-23-20(31-32-24)10-9-19(28-23)18-8-4-5-11-27-18/h2-12,14H,13H2,1H3,(H,29,30)(H,31,32).

What are the key properties of 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine?

3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 422.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluorophenyl)-6-methyl-6,7-dihydro-1H-benzimidazol-2-yl]-5-pyridin-2-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137032917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).