N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide

C25H23FN6O3 — CID 134327672

IUPACN-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide
SMILESCOc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(N4CCN(C)C(=O)C4)c3)n[nH]c2cn1
InChIInChI=1S/C25H23FN6O3/c1-31-9-10-32(14-22(31)33)16-6-3-5-15(11-16)25(34)28-24-17-12-19(27-13-20(17)29-30-24)23-18(26)7-4-8-21(23)35-2/h3-8,11-13H,9-10,14H2,1-2H3,(H2,28,29,30,34)
InChIKeyAJFVVZSNXLIYIF-UHFFFAOYSA-N
MW474.50 g/mol
LogP3.30
Rot. Bonds5

About N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide

N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide (PubChem CID 134327672) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide
PubChem CID134327672
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC NameN-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide
SMILESCOc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(N4CCN(C)C(=O)C4)c3)n[nH]c2cn1
InChIInChI=1S/C25H23FN6O3/c1-31-9-10-32(14-22(31)33)16-6-3-5-15(11-16)25(34)28-24-17-12-19(27-13-20(17)29-30-24)23-18(26)7-4-8-21(23)35-2/h3-8,11-13H,9-10,14H2,1-2H3,(H2,28,29,30,34)
InChIKeyAJFVVZSNXLIYIF-UHFFFAOYSA-N
XLogP3.30
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide?
The IUPAC name of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide (CID 134327672) is N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide is COc1cccc(F)c1-c1cc2c(NC(=O)c3cccc(N4CCN(C)C(=O)C4)c3)n[nH]c2cn1.
What is the InChIKey of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide?
The InChIKey is AJFVVZSNXLIYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-31-9-10-32(14-22(31)33)16-6-3-5-15(11-16)25(34)28-24-17-12-19(27-13-20(17)29-30-24)23-18(26)7-4-8-21(23)35-2/h3-8,11-13H,9-10,14H2,1-2H3,(H2,28,29,30,34).
What are the key properties of N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide?
N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide has a molecular weight of 474.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-methyl-3-oxopiperazin-1-yl)benzamide is sourced from PubChem (CID 134327672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).