4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine

C23H15FN6S — CID 136942720

IUPAC4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5ccsc5)cccc4[nH]3)c2c1F
InChIInChI=1S/C23H15FN6S/c1-12-5-7-25-9-15(12)21-19(24)18-17(10-26-21)29-30-22(18)23-27-16-4-2-3-14(20(16)28-23)13-6-8-31-11-13/h2-11H,1H3,(H,27,28)(H,29,30)
InChIKeyPIXCTUJTNGCEIV-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.74
Rot. Bonds3

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

4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136942720) has the molecular formula C23H15FN6S and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136942720
Molecular FormulaC23H15FN6S
Molecular Weight426.48 g/mol
Exact Mass426.11
IUPAC Name4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5ccsc5)cccc4[nH]3)c2c1F
InChIInChI=1S/C23H15FN6S/c1-12-5-7-25-9-15(12)21-19(24)18-17(10-26-21)29-30-22(18)23-27-16-4-2-3-14(20(16)28-23)13-6-8-31-11-13/h2-11H,1H3,(H,27,28)(H,29,30)
InChIKeyPIXCTUJTNGCEIV-UHFFFAOYSA-N
XLogP5.74
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-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-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 136942720) is 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5ccsc5)cccc4[nH]3)c2c1F.
What is the InChIKey of 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is PIXCTUJTNGCEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6S/c1-12-5-7-25-9-15(12)21-19(24)18-17(10-26-21)29-30-22(18)23-27-16-4-2-3-14(20(16)28-23)13-6-8-31-11-13/h2-11H,1H3,(H,27,28)(H,29,30).
What are the key properties of 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 426.48 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(4-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136942720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).