N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide

C24H20FN7O3 — CID 27477168

IUPACN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H20FN7O3/c1-14-10-21(29-24(33)15-4-9-19(34-2)20(11-15)35-3)32(30-14)23-18-12-28-31(22(18)26-13-27-23)17-7-5-16(25)6-8-17/h4-13H,1-3H3,(H,29,33)
InChIKeyDBHNEBIOUDFLAD-UHFFFAOYSA-N
MW473.47 g/mol
LogP3.72
Rot. Bonds6

About N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide (PubChem CID 27477168) has the molecular formula C24H20FN7O3 and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
PubChem CID27477168
Molecular FormulaC24H20FN7O3
Molecular Weight473.47 g/mol
Exact Mass473.16
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H20FN7O3/c1-14-10-21(29-24(33)15-4-9-19(34-2)20(11-15)35-3)32(30-14)23-18-12-28-31(22(18)26-13-27-23)17-7-5-16(25)6-8-17/h4-13H,1-3H3,(H,29,33)
InChIKeyDBHNEBIOUDFLAD-UHFFFAOYSA-N
XLogP3.72
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide (CID 27477168) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is DBHNEBIOUDFLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3/c1-14-10-21(29-24(33)15-4-9-19(34-2)20(11-15)35-3)32(30-14)23-18-12-28-31(22(18)26-13-27-23)17-7-5-16(25)6-8-17/h4-13H,1-3H3,(H,29,33).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide?
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 473.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 27477168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).