3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine

C23H20F3N5 — CID 134328006

IUPAC3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cc(F)cc5F)cc34)cc2)CC1
InChIInChI=1S/C23H20F3N5/c1-30-6-8-31(9-7-30)16-4-2-14(3-5-16)23-17-12-20(27-13-21(17)28-29-23)22-18(25)10-15(24)11-19(22)26/h2-5,10-13H,6-9H2,1H3,(H,28,29)
InChIKeyZCKJEEGYRBLXCL-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.46
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine

3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134328006) has the molecular formula C23H20F3N5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID134328006
Molecular FormulaC23H20F3N5
Molecular Weight423.44 g/mol
Exact Mass423.17
IUPAC Name3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cc(F)cc5F)cc34)cc2)CC1
InChIInChI=1S/C23H20F3N5/c1-30-6-8-31(9-7-30)16-4-2-14(3-5-16)23-17-12-20(27-13-21(17)28-29-23)22-18(25)10-15(24)11-19(22)26/h2-5,10-13H,6-9H2,1H3,(H,28,29)
InChIKeyZCKJEEGYRBLXCL-UHFFFAOYSA-N
XLogP4.46
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine (CID 134328006) is 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine is CN1CCN(c2ccc(-c3n[nH]c4cnc(-c5c(F)cc(F)cc5F)cc34)cc2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is ZCKJEEGYRBLXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5/c1-30-6-8-31(9-7-30)16-4-2-14(3-5-16)23-17-12-20(27-13-21(17)28-29-23)22-18(25)10-15(24)11-19(22)26/h2-5,10-13H,6-9H2,1H3,(H,28,29).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 423.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,4,6-trifluorophenyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134328006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).