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

C24H24FN5O — CID 134327883

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1
InChIInChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)17-8-6-16(7-9-17)24-18-14-20(26-15-21(18)27-28-24)23-19(25)4-3-5-22(23)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,27,28)
InChIKeyQPDHLAMWZWYQDQ-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[3,4-c]pyridine

5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134327883) 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[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID134327883
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[3,4-c]pyridine
SMILESCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1
InChIInChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)17-8-6-16(7-9-17)24-18-14-20(26-15-21(18)27-28-24)23-19(25)4-3-5-22(23)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,27,28)
InChIKeyQPDHLAMWZWYQDQ-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (CID 134327883) is 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is COc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is QPDHLAMWZWYQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)17-8-6-16(7-9-17)24-18-14-20(26-15-21(18)27-28-24)23-19(25)4-3-5-22(23)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,27,28).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]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[3,4-c]pyridine is sourced from PubChem (CID 134327883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).