5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine

C23H22FN5 — CID 134327623

IUPAC5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cc2)CC1
InChIInChI=1S/C23H22FN5/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)22-23-21(26-27-22)11-10-20(25-23)18-4-2-3-5-19(18)24/h2-11H,12-15H2,1H3,(H,26,27)
InChIKeyVKYBSZGWNDVHIO-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.18
Rot. Bonds3

About 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine

5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 134327623) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID134327623
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cc2)CC1
InChIInChI=1S/C23H22FN5/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)22-23-21(26-27-22)11-10-20(25-23)18-4-2-3-5-19(18)24/h2-11H,12-15H2,1H3,(H,26,27)
InChIKeyVKYBSZGWNDVHIO-UHFFFAOYSA-N
XLogP4.18
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (CID 134327623) is 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5ccccc5F)nc34)cc2)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is VKYBSZGWNDVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c1-28-12-14-29(15-13-28)17-8-6-16(7-9-17)22-23-21(26-27-22)11-10-20(25-23)18-4-2-3-5-19(18)24/h2-11H,12-15H2,1H3,(H,26,27).
What are the key properties of 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 387.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134327623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).