4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide

C24H20N6O2 — CID 162647255

IUPAC4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc5ccnn5c4)cn3)c2)cc1
InChIInChI=1S/C24H20N6O2/c1-16-3-6-20(28-24(31)17-4-7-21(32-2)8-5-17)11-22(16)29-14-19(13-27-29)18-12-25-23-9-10-26-30(23)15-18/h3-15H,1-2H3,(H,28,31)
InChIKeyFQRASLPAVXFUEP-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.15
Rot. Bonds5

About 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide

4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide (PubChem CID 162647255) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide
PubChem CID162647255
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc5ccnn5c4)cn3)c2)cc1
InChIInChI=1S/C24H20N6O2/c1-16-3-6-20(28-24(31)17-4-7-21(32-2)8-5-17)11-22(16)29-14-19(13-27-29)18-12-25-23-9-10-26-30(23)15-18/h3-15H,1-2H3,(H,28,31)
InChIKeyFQRASLPAVXFUEP-UHFFFAOYSA-N
XLogP4.15
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide (CID 162647255) is 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cnc5ccnn5c4)cn3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is FQRASLPAVXFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-16-3-6-20(28-24(31)17-4-7-21(32-2)8-5-17)11-22(16)29-14-19(13-27-29)18-12-25-23-9-10-26-30(23)15-18/h3-15H,1-2H3,(H,28,31).
What are the key properties of 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide?
4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-(4-pyrazolo[1,5-a]pyrimidin-6-ylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 162647255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).