5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine

C24H24FN5 — CID 134327710

IUPAC5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1
InChIInChI=1S/C24H24FN5/c1-16-4-3-5-19(25)22(16)20-10-11-21-24(26-20)23(28-27-21)17-6-8-18(9-7-17)30-14-12-29(2)13-15-30/h3-11H,12-15H2,1-2H3,(H,27,28)
InChIKeyUVMATIQKNMMYFQ-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.49
Rot. Bonds3

About 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine

5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 134327710) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID134327710
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1
InChIInChI=1S/C24H24FN5/c1-16-4-3-5-19(25)22(16)20-10-11-21-24(26-20)23(28-27-21)17-6-8-18(9-7-17)30-14-12-29(2)13-15-30/h3-11H,12-15H2,1-2H3,(H,27,28)
InChIKeyUVMATIQKNMMYFQ-UHFFFAOYSA-N
XLogP4.49
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (CID 134327710) is 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is Cc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is UVMATIQKNMMYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5/c1-16-4-3-5-19(25)22(16)20-10-11-21-24(26-20)23(28-27-21)17-6-8-18(9-7-17)30-14-12-29(2)13-15-30/h3-11H,12-15H2,1-2H3,(H,27,28).
What are the key properties of 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 401.49 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134327710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).