[3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol

C24H24FN5O — CID 134327950

IUPAC[3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cccc5CO)cc34)cc2)CC1
InChIInChI=1S/C24H24FN5O/c1-29-9-11-30(12-10-29)18-7-5-16(6-8-18)24-19-13-21(26-14-22(19)27-28-24)23-17(15-31)3-2-4-20(23)25/h2-8,13-14,31H,9-12,15H2,1H3,(H,27,28)
InChIKeyVJRGMZXBUPOTGQ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.68
Rot. Bonds4

About [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol

[3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol (PubChem CID 134327950) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol
PubChem CID134327950
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name[3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cccc5CO)cc34)cc2)CC1
InChIInChI=1S/C24H24FN5O/c1-29-9-11-30(12-10-29)18-7-5-16(6-8-18)24-19-13-21(26-14-22(19)27-28-24)23-17(15-31)3-2-4-20(23)25/h2-8,13-14,31H,9-12,15H2,1H3,(H,27,28)
InChIKeyVJRGMZXBUPOTGQ-UHFFFAOYSA-N
XLogP3.68
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol 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-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol (CID 134327950) is [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cccc5CO)cc34)cc2)CC1.
What is the InChIKey of [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol?
The InChIKey is VJRGMZXBUPOTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-29-9-11-30(12-10-29)18-7-5-16(6-8-18)24-19-13-21(26-14-22(19)27-28-24)23-17(15-31)3-2-4-20(23)25/h2-8,13-14,31H,9-12,15H2,1H3,(H,27,28).
What are the key properties of [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol?
[3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol has a molecular weight of 417.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methanol is sourced from PubChem (CID 134327950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).