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

C24H24FN5O — CID 134327873

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1
InChIInChI=1S/C24H24FN5O/c1-29-12-14-30(15-13-29)17-8-6-16(7-9-17)23-24-20(27-28-23)11-10-19(26-24)22-18(25)4-3-5-21(22)31-2/h3-11H,12-15H2,1-2H3,(H,27,28)
InChIKeyKOZKIKAJPAIEHC-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.19
Rot. Bonds4

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

5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 134327873) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID134327873
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine
SMILESCOc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1
InChIInChI=1S/C24H24FN5O/c1-29-12-14-30(15-13-29)17-8-6-16(7-9-17)23-24-20(27-28-23)11-10-19(26-24)22-18(25)4-3-5-21(22)31-2/h3-11H,12-15H2,1-2H3,(H,27,28)
InChIKeyKOZKIKAJPAIEHC-UHFFFAOYSA-N
XLogP4.19
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US11014929, Example 11
CID 134326327
5-(2-fluoro-6-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazolo[3,4-c]pyridin-3-amine
CID 134327706
US10435405, Example 43
CID 134327883
(S)-1-(2,6-difluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481735
(S)-1-(3-fluorophenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481736
(S)-1-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(2,3,4-trifluorophenyl)propan-2-amine
CID 45481740
(S)-1-(4-fluoro-3-methylphenyl)-3-(5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)propan-2-amine
CID 45481743
6-(2-Fluoro-6-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162647208
6-(2-Ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
CID 162665862
US11014929, Example 15
CID 134326107

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine (CID 134327873) is 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is COc1cccc(F)c1-c1ccc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is KOZKIKAJPAIEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-29-12-14-30(15-13-29)17-8-6-16(7-9-17)23-24-20(27-28-23)11-10-19(26-24)22-18(25)4-3-5-21(22)31-2/h3-11H,12-15H2,1-2H3,(H,27,28).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine?
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 417.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134327873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).