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

C23H16FN7O — CID 136943340

IUPAC3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
SMILESCn1cc(-c2cc3c(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C23H16FN7O/c1-31-11-13(9-26-31)19-8-17-20(10-25-19)29-30-22(17)23-27-18-4-2-3-16(21(18)28-23)12-5-14(24)7-15(32)6-12/h2-11,32H,1H3,(H,27,28)(H,29,30)
InChIKeyXWYXUQIVCQQTLQ-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.41
Rot. Bonds3

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

3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol (PubChem CID 136943340) has the molecular formula C23H16FN7O and a molecular weight of 425.43 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
PubChem CID136943340
Molecular FormulaC23H16FN7O
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC Name3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
SMILESCn1cc(-c2cc3c(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C23H16FN7O/c1-31-11-13(9-26-31)19-8-17-20(10-25-19)29-30-22(17)23-27-18-4-2-3-16(21(18)28-23)12-5-14(24)7-15(32)6-12/h2-11,32H,1H3,(H,27,28)(H,29,30)
InChIKeyXWYXUQIVCQQTLQ-UHFFFAOYSA-N
XLogP4.41
TPSA108.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol 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 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol (CID 136943340) is 3-fluoro-5-[2-[5-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol is Cn1cc(-c2cc3c(-c4nc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)n[nH]c3cn2)cn1.
What is the InChIKey of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol?
The InChIKey is XWYXUQIVCQQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O/c1-31-11-13(9-26-31)19-8-17-20(10-25-19)29-30-22(17)23-27-18-4-2-3-16(21(18)28-23)12-5-14(24)7-15(32)6-12/h2-11,32H,1H3,(H,27,28)(H,29,30).
What are the key properties of 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol?
3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol has a molecular weight of 425.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol is sourced from PubChem (CID 136943340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).