5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

C25H17FN6O — CID 136943371

IUPAC5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)nc23)c1
InChIInChI=1S/C25H17FN6O/c1-13-5-14(7-16(26)6-13)18-3-2-4-20-23(18)30-25(29-20)24-19-9-21(28-12-22(19)31-32-24)15-8-17(33)11-27-10-15/h2-12,33H,1H3,(H,29,30)(H,31,32)
InChIKeyNMSULRDSCNJVML-UHFFFAOYSA-N
MW436.45 g/mol
LogP5.38
Rot. Bonds3

About 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (PubChem CID 136943371) has the molecular formula C25H17FN6O and a molecular weight of 436.45 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
PubChem CID136943371
Molecular FormulaC25H17FN6O
Molecular Weight436.45 g/mol
Exact Mass436.14
IUPAC Name5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)nc23)c1
InChIInChI=1S/C25H17FN6O/c1-13-5-14(7-16(26)6-13)18-3-2-4-20-23(18)30-25(29-20)24-19-9-21(28-12-22(19)31-32-24)15-8-17(33)11-27-10-15/h2-12,33H,1H3,(H,29,30)(H,31,32)
InChIKeyNMSULRDSCNJVML-UHFFFAOYSA-N
XLogP5.38
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (CID 136943371) is 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is Cc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(O)c6)cc45)nc23)c1.
What is the InChIKey of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The InChIKey is NMSULRDSCNJVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O/c1-13-5-14(7-16(26)6-13)18-3-2-4-20-23(18)30-25(29-20)24-19-9-21(28-12-22(19)31-32-24)15-8-17(33)11-27-10-15/h2-12,33H,1H3,(H,29,30)(H,31,32).
What are the key properties of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol has a molecular weight of 436.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 136943371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).