4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C28H24FN7O — CID 136942762

IUPAC4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5ccoc5)cccc4[nH]3)c12
InChIInChI=1S/C28H24FN7O/c29-24-23-22(14-31-25(24)19-11-17(12-30-13-19)15-36-8-2-1-3-9-36)34-35-27(23)28-32-21-6-4-5-20(26(21)33-28)18-7-10-37-16-18/h4-7,10-14,16H,1-3,8-9,15H2,(H,32,33)(H,34,35)
InChIKeyAUOSCYRHNDONHL-UHFFFAOYSA-N
MW493.55 g/mol
LogP5.95
Rot. Bonds5

About 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136942762) has the molecular formula C28H24FN7O and a molecular weight of 493.55 g/mol. Its IUPAC name is 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID136942762
Molecular FormulaC28H24FN7O
Molecular Weight493.55 g/mol
Exact Mass493.20
IUPAC Name4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5ccoc5)cccc4[nH]3)c12
InChIInChI=1S/C28H24FN7O/c29-24-23-22(14-31-25(24)19-11-17(12-30-13-19)15-36-8-2-1-3-9-36)34-35-27(23)28-32-21-6-4-5-20(26(21)33-28)18-7-10-37-16-18/h4-7,10-14,16H,1-3,8-9,15H2,(H,32,33)(H,34,35)
InChIKeyAUOSCYRHNDONHL-UHFFFAOYSA-N
XLogP5.95
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 136942762) is 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)ncc2[nH]nc(-c3nc4c(-c5ccoc5)cccc4[nH]3)c12.
What is the InChIKey of 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is AUOSCYRHNDONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O/c29-24-23-22(14-31-25(24)19-11-17(12-30-13-19)15-36-8-2-1-3-9-36)34-35-27(23)28-32-21-6-4-5-20(26(21)33-28)18-7-10-37-16-18/h4-7,10-14,16H,1-3,8-9,15H2,(H,32,33)(H,34,35).
What are the key properties of 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 493.55 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136942762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).