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

C24H21FN6O — CID 136943316

IUPAC3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)c1
InChIInChI=1S/C24H21FN6O/c25-15-8-14(9-16(32)10-15)17-2-1-3-19-22(17)29-24(28-19)23-18-11-20(13-4-6-26-7-5-13)27-12-21(18)30-31-23/h1-3,8-13,26,32H,4-7H2,(H,28,29)(H,30,31)
InChIKeyONXVEBCJUQVMQL-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.48
Rot. Bonds3

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

3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol (PubChem CID 136943316) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
PubChem CID136943316
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
SMILESOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)c1
InChIInChI=1S/C24H21FN6O/c25-15-8-14(9-16(32)10-15)17-2-1-3-19-22(17)29-24(28-19)23-18-11-20(13-4-6-26-7-5-13)27-12-21(18)30-31-23/h1-3,8-13,26,32H,4-7H2,(H,28,29)(H,30,31)
InChIKeyONXVEBCJUQVMQL-UHFFFAOYSA-N
XLogP4.48
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol (CID 136943316) is 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(C6CCNCC6)cc45)nc23)c1.
What is the InChIKey of 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol?
The InChIKey is ONXVEBCJUQVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-15-8-14(9-16(32)10-15)17-2-1-3-19-22(17)29-24(28-19)23-18-11-20(13-4-6-26-7-5-13)27-12-21(18)30-31-23/h1-3,8-13,26,32H,4-7H2,(H,28,29)(H,30,31).
What are the key properties of 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol?
3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol has a molecular weight of 428.47 g/mol, XLogP of 4.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol is sourced from PubChem (CID 136943316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).