3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine

C24H19FN6 — CID 145038274

IUPAC3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(C6=CCNCC6)cc45)nc23)c1
InChIInChI=1S/C24H19FN6/c25-17-4-1-3-15(11-17)18-5-2-6-20-21(18)29-24(28-20)22-19-12-16(13-27-23(19)31-30-22)14-7-9-26-10-8-14/h1-7,11-13,26H,8-10H2,(H,28,29)(H,27,30,31)
InChIKeyHLXXITGXOWMMKF-UHFFFAOYSA-N
MW410.46 g/mol
LogP4.68
Rot. Bonds3

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

3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 145038274) has the molecular formula C24H19FN6 and a molecular weight of 410.46 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID145038274
Molecular FormulaC24H19FN6
Molecular Weight410.46 g/mol
Exact Mass410.17
IUPAC Name3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(C6=CCNCC6)cc45)nc23)c1
InChIInChI=1S/C24H19FN6/c25-17-4-1-3-15(11-17)18-5-2-6-20-21(18)29-24(28-20)22-19-12-16(13-27-23(19)31-30-22)14-7-9-26-10-8-14/h1-7,11-13,26H,8-10H2,(H,28,29)(H,27,30,31)
InChIKeyHLXXITGXOWMMKF-UHFFFAOYSA-N
XLogP4.68
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945567
3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137145368
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945867
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137054944
3-(4-pyridin-2-yl-1H-indol-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041341
2-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137056954
3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 145249460
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137281467
3-(7-cyclopenta-1,4-dien-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038556
3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136943076
5-(5-fluoro-3-pyridinyl)-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 145038352

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 145038274) is 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine is Fc1cccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(C6=CCNCC6)cc45)nc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is HLXXITGXOWMMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6/c25-17-4-1-3-15(11-17)18-5-2-6-20-21(18)29-24(28-20)22-19-12-16(13-27-23(19)31-30-22)14-7-9-26-10-8-14/h1-7,11-13,26H,8-10H2,(H,28,29)(H,27,30,31).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 410.46 g/mol, XLogP of 4.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 145038274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).